general_description: | The record contains raw data pertinent to the publication: Large-cavity coronoids with different inner and outer edge structures M. Di Giovannantonio, X. Yao, K. Eimre, J. I. Urgel, P. Ruffieux, C. A. Pignedoli, K. Müllen, R. Fasel, and A. Narita J. Am. Chem. Soc. 142, 12046–12050 (2020). DOI: 10.1021/jacs.0c05268 cp2k_calculations.aiida: description: | Full calculation provenance provided by an archive of AiiDA nodes. See https://www.materialscloud.org/ and http://www.aiida.net/. calculations: description: Folder containing files related to content: - figure-S5_BANDS-TB.ipynb - figures-3-4-S3-S6-S7_CALCS-GAUSSIAN.tgz figure-S5_BANDS-TB.ipynb: location: data/calculations description: | The file contains input and output files to reproduce the bandstructure related to calculations figure-S5 The calculations were done with Tight Binding the file is a Jupyter notebook. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 figures-3-4-S3-S6-S7_CALCS-GAUSSIAN.tgz: location: data/calculations description: | The file contains the data for the calculations related to calculations figures-3-4-S3-S6-S7 The calculations were done with Gaussian (www.gaussian.com) the file is a compressed tar archive containing inputs and outputs. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 Figure_2: description: Folder containing files related to content: - b_STM-Igor.txt - auto_b_STM-Igor.csv - c_AFM-Igor.txt - auto_c_AFM-Igor.csv - f_STM-Igor.txt - auto_f_STM-Igor.csv - g_AFM-Igor.txt - auto_g_AFM-Igor.csv - j-h170_AFM-Igor.txt - auto_j-h170_AFM-Igor.csv - j-h190_AFM-Igor.txt - auto_j-h190_AFM-Igor.csv - j-h210_AFM-Igor.txt - auto_j-h210_AFM-Igor.csv - j-h230_AFM-Igor.txt - auto_j-h230_AFM-Igor.csv - j-h250_AFM-Igor.txt - auto_j-h250_AFM-Igor.csv - j-h270_AFM-Igor.txt - auto_j-h270_AFM-Igor.csv - j-h290_AFM-Igor.txt - auto_j-h290_AFM-Igor.csv - k-df-vs-dz-all_DATA-Igor.txt - auto_k-df-vs-dz-all_DATA-Igor.csv - auto_k-df-vs-dz-all_DATA-Igor_1.csv - auto_k-df-vs-dz-all_DATA-Igor_2.csv - k-df-vs-dz-black_DATA-Igor.txt - auto_k-df-vs-dz-black_DATA-Igor.csv - k-df-vs-dz-blue_DATA-Igor.txt - auto_k-df-vs-dz-blue_DATA-Igor.csv - k-df-vs-dz-red_DATA-Igor.txt - auto_k-df-vs-dz-red_DATA-Igor.csv b_STM-Igor.txt: location: data/Figure_2 description: | The file contains the data for the STM image related to Figure_2 b The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_b_STM-Igor.csv: location: data/Figure_2 description: data content of b_STM-Igor.txt in csv format c_AFM-Igor.txt: location: data/Figure_2 description: | The file contains the data for the AFM image related to Figure_2 c The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_c_AFM-Igor.csv: location: data/Figure_2 description: data content of c_AFM-Igor.txt in csv format f_STM-Igor.txt: location: data/Figure_2 description: | The file contains the data for the STM image related to Figure_2 f The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_f_STM-Igor.csv: location: data/Figure_2 description: data content of f_STM-Igor.txt in csv format g_AFM-Igor.txt: location: data/Figure_2 description: | The file contains the data for the AFM image related to Figure_2 g The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_g_AFM-Igor.csv: location: data/Figure_2 description: data content of g_AFM-Igor.txt in csv format j-h170_AFM-Igor.txt: location: data/Figure_2 description: | The file contains the data for the AFM image related to Figure_2 j-h170 The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_j-h170_AFM-Igor.csv: location: data/Figure_2 description: data content of j-h170_AFM-Igor.txt in csv format j-h190_AFM-Igor.txt: location: data/Figure_2 description: | The file contains the data for the AFM image related to Figure_2 j-h190 The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_j-h190_AFM-Igor.csv: location: data/Figure_2 description: data content of j-h190_AFM-Igor.txt in csv format j-h210_AFM-Igor.txt: location: data/Figure_2 description: | The file contains the data for the AFM image related to Figure_2 j-h210 The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_j-h210_AFM-Igor.csv: location: data/Figure_2 description: data content of j-h210_AFM-Igor.txt in csv format j-h230_AFM-Igor.txt: location: data/Figure_2 description: | The file contains the data for the AFM image related to Figure_2 j-h230 The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_j-h230_AFM-Igor.csv: location: data/Figure_2 description: data content of j-h230_AFM-Igor.txt in csv format j-h250_AFM-Igor.txt: location: data/Figure_2 description: | The file contains the data for the AFM image related to Figure_2 j-h250 The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_j-h250_AFM-Igor.csv: location: data/Figure_2 description: data content of j-h250_AFM-Igor.txt in csv format j-h270_AFM-Igor.txt: location: data/Figure_2 description: | The file contains the data for the AFM image related to Figure_2 j-h270 The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_j-h270_AFM-Igor.csv: location: data/Figure_2 description: data content of j-h270_AFM-Igor.txt in csv format j-h290_AFM-Igor.txt: location: data/Figure_2 description: | The file contains the data for the AFM image related to Figure_2 j-h290 The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_j-h290_AFM-Igor.csv: location: data/Figure_2 description: data content of j-h290_AFM-Igor.txt in csv format k-df-vs-dz-all_DATA-Igor.txt: location: data/Figure_2 description: | The file contains data related to Figure_2 k-df-vs-dz-all The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_k-df-vs-dz-all_DATA-Igor.csv: location: data/Figure_2 description: data content of k-df-vs-dz-all_DATA-Igor.txt in csv format auto_k-df-vs-dz-all_DATA-Igor_1.csv: location: data/Figure_2 description: data content of k-df-vs-dz-all_DATA-Igor.txt in csv format auto_k-df-vs-dz-all_DATA-Igor_2.csv: location: data/Figure_2 description: data content of k-df-vs-dz-all_DATA-Igor.txt in csv format k-df-vs-dz-black_DATA-Igor.txt: location: data/Figure_2 description: | The file contains data related to Figure_2 k-df-vs-dz-black The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_k-df-vs-dz-black_DATA-Igor.csv: location: data/Figure_2 description: data content of k-df-vs-dz-black_DATA-Igor.txt in csv format k-df-vs-dz-blue_DATA-Igor.txt: location: data/Figure_2 description: | The file contains data related to Figure_2 k-df-vs-dz-blue The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_k-df-vs-dz-blue_DATA-Igor.csv: location: data/Figure_2 description: data content of k-df-vs-dz-blue_DATA-Igor.txt in csv format k-df-vs-dz-red_DATA-Igor.txt: location: data/Figure_2 description: | The file contains data related to Figure_2 k-df-vs-dz-red The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_k-df-vs-dz-red_DATA-Igor.csv: location: data/Figure_2 description: data content of k-df-vs-dz-red_DATA-Igor.txt in csv format Figure_3: description: Folder containing files related to content: - a-black_STS-Igor.txt - auto_a-black_STS-Igor.csv - a-blue_STS-Igor.txt - auto_a-blue_STS-Igor.csv - b_dIdV-Igor.txt - auto_b_dIdV-Igor.csv - c_dIdV-Igor.txt - auto_c_dIdV-Igor.csv - f-black_STS-Igor.txt - auto_f-black_STS-Igor.csv - f-blue_STS-Igor.txt - auto_f-blue_STS-Igor.csv - g_dIdV-Igor.txt - auto_g_dIdV-Igor.csv - h_dIdV-Igor.txt - auto_h_dIdV-Igor.csv a-black_STS-Igor.txt: location: data/Figure_3 description: | The file contains the data for the STS image related to Figure_3 a-black The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_a-black_STS-Igor.csv: location: data/Figure_3 description: data content of a-black_STS-Igor.txt in csv format a-blue_STS-Igor.txt: location: data/Figure_3 description: | The file contains the data for the STS image related to Figure_3 a-blue The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_a-blue_STS-Igor.csv: location: data/Figure_3 description: data content of a-blue_STS-Igor.txt in csv format b_dIdV-Igor.txt: location: data/Figure_3 description: | The file contains the data for the dIdV map related to Figure_3 b The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_b_dIdV-Igor.csv: location: data/Figure_3 description: data content of b_dIdV-Igor.txt in csv format c_dIdV-Igor.txt: location: data/Figure_3 description: | The file contains the data for the dIdV map related to Figure_3 c The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_c_dIdV-Igor.csv: location: data/Figure_3 description: data content of c_dIdV-Igor.txt in csv format f-black_STS-Igor.txt: location: data/Figure_3 description: | The file contains the data for the STS image related to Figure_3 f-black The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_f-black_STS-Igor.csv: location: data/Figure_3 description: data content of f-black_STS-Igor.txt in csv format f-blue_STS-Igor.txt: location: data/Figure_3 description: | The file contains the data for the STS image related to Figure_3 f-blue The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_f-blue_STS-Igor.csv: location: data/Figure_3 description: data content of f-blue_STS-Igor.txt in csv format g_dIdV-Igor.txt: location: data/Figure_3 description: | The file contains the data for the dIdV map related to Figure_3 g The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_g_dIdV-Igor.csv: location: data/Figure_3 description: data content of g_dIdV-Igor.txt in csv format h_dIdV-Igor.txt: location: data/Figure_3 description: | The file contains the data for the dIdV map related to Figure_3 h The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_h_dIdV-Igor.csv: location: data/Figure_3 description: data content of h_dIdV-Igor.txt in csv format Figure_S1: description: Folder containing files related to content: - a_STM-Igor.txt - auto_a_STM-Igor.csv - b_AFM-Igor.txt - auto_b_AFM-Igor.csv - d_AFM-Igor.txt - auto_d_AFM-Igor.csv - e_AFM-Igor.txt - auto_e_AFM-Igor.csv a_STM-Igor.txt: location: data/Figure_S1 description: | The file contains the data for the STM image related to Figure_S1 a The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_a_STM-Igor.csv: location: data/Figure_S1 description: data content of a_STM-Igor.txt in csv format b_AFM-Igor.txt: location: data/Figure_S1 description: | The file contains the data for the AFM image related to Figure_S1 b The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_b_AFM-Igor.csv: location: data/Figure_S1 description: data content of b_AFM-Igor.txt in csv format d_AFM-Igor.txt: location: data/Figure_S1 description: | The file contains the data for the AFM image related to Figure_S1 d The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_d_AFM-Igor.csv: location: data/Figure_S1 description: data content of d_AFM-Igor.txt in csv format e_AFM-Igor.txt: location: data/Figure_S1 description: | The file contains the data for the AFM image related to Figure_S1 e The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_e_AFM-Igor.csv: location: data/Figure_S1 description: data content of e_AFM-Igor.txt in csv format Figure_S2: description: Folder containing files related to content: - a_STM-Igor.txt - auto_a_STM-Igor.csv - b_STM-Igor.txt - auto_b_STM-Igor.csv - c_STM-Igor.txt - auto_c_STM-Igor.csv - d_STM-Igor.txt - auto_d_STM-Igor.csv - f_DATA-Igor.txt - auto_f_DATA-Igor.csv - auto_f_DATA-Igor_1.csv - auto_f_DATA-Igor_2.csv a_STM-Igor.txt: location: data/Figure_S2 description: | The file contains the data for the STM image related to Figure_S2 a The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_a_STM-Igor.csv: location: data/Figure_S2 description: data content of a_STM-Igor.txt in csv format b_STM-Igor.txt: location: data/Figure_S2 description: | The file contains the data for the STM image related to Figure_S2 b The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_b_STM-Igor.csv: location: data/Figure_S2 description: data content of b_STM-Igor.txt in csv format c_STM-Igor.txt: location: data/Figure_S2 description: | The file contains the data for the STM image related to Figure_S2 c The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_c_STM-Igor.csv: location: data/Figure_S2 description: data content of c_STM-Igor.txt in csv format d_STM-Igor.txt: location: data/Figure_S2 description: | The file contains the data for the STM image related to Figure_S2 d The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_d_STM-Igor.csv: location: data/Figure_S2 description: data content of d_STM-Igor.txt in csv format f_DATA-Igor.txt: location: data/Figure_S2 description: | The file contains data related to Figure_S2 f The file is produced with IgorPro (https://www.wavemetrics.com/products/igorpro). A comma separated values version is also included with extension .csv the file is in ASCII format. Details on how the data were obtained are provided in: 10.1021/jacs.0c05268 auto_f_DATA-Igor.csv: location: data/Figure_S2 description: data content of f_DATA-Igor.txt in csv format auto_f_DATA-Igor_1.csv: location: data/Figure_S2 description: data content of f_DATA-Igor.txt in csv format auto_f_DATA-Igor_2.csv: location: data/Figure_S2 description: data content of f_DATA-Igor.txt in csv format