All the structures are ordered for symmetry group, volume per hydrogen atom, and if they represent the static (DFT-BLYP minimum), hydrogen centroids or deuterium centroids.


List of files:


c2c_v1.067_deu.cif                      : C2/c-24    volume 1.067 A^3/H with Deuterium  centroids
c2c_v1.067_hyd.cif                      : C2/c-24    volume 1.067 A^3/H with Hydrogen   centroids
c2c_v1.067_static.cif                   : C2/c-24    volume 1.067 A^3/H with Static     centroids
c2c_v1.116_deu.cif                      : C2/c-24    volume 1.116 A^3/H with Deuterium  centroids
c2c_v1.116_hyd.cif                      : C2/c-24    volume 1.116 A^3/H with Hydrogen   centroids
c2c_v1.116_static.cif                   : C2/c-24    volume 1.116 A^3/H with Static     centroids
c2c_v1.187_deu.cif                      : C2/c-24    volume 1.187 A^3/H with Deuterium  centroids
c2c_v1.187_hyd.cif                      : C2/c-24    volume 1.187 A^3/H with Hydrogen   centroids
c2c_v1.187_static.cif                   : C2/c-24    volume 1.187 A^3/H with Static     centroids
c2c_v1.259_deu.cif                      : C2/c-24    volume 1.259 A^3/H with Deuterium  centroids
c2c_v1.259_hyd.cif                      : C2/c-24    volume 1.259 A^3/H with Hydrogen   centroids
c2c_v1.259_static.cif                   : C2/c-24    volume 1.259 A^3/H with Static     centroids
c2c_v1.416_deu.cif                      : C2/c-24    volume 1.416 A^3/H with Deuterium  centroids
c2c_v1.416_hyd.cif                      : C2/c-24    volume 1.416 A^3/H with Hydrogen   centroids
c2c_v1.416_static.cif                   : C2/c-24    volume 1.416 A^3/H with Static     centroids
cmca12_v1.067_deu.cif                   : Cmca-12    volume 1.067 A^3/H with Deuterium  centroids
cmca12_v1.067_hyd.cif                   : Cmca-12    volume 1.067 A^3/H with Hydrogen   centroids
cmca12_v1.067_static.cif                : Cmca-12    volume 1.067 A^3/H with Static     centroids
cmca12_v1.116_deu.cif                   : Cmca-12    volume 1.116 A^3/H with Deuterium  centroids
cmca12_v1.116_static.cif                : Cmca-12    volume 1.116 A^3/H with Static     centroids
cmca12_v1.259_deu.cif                   : Cmca-12    volume 1.259 A^3/H with Deuterium  centroids
cmca12_v1.259_hyd.cif                   : Cmca-12    volume 1.259 A^3/H with Hydrogen   centroids
cmca12_v1.259_static.cif                : Cmca-12    volume 1.259 A^3/H with Static     centroids
cmca12_v1.416_deu.cif                   : Cmca-12    volume 1.416 A^3/H with Deuterium  centroids
cmca12_v1.416_hyd.cif                   : Cmca-12    volume 1.416 A^3/H with Hydrogen   centroids
cmca12_v1.416_static.cif                : Cmca-12    volume 1.416 A^3/H with Static     centroids
cmca4_v1.116.cif                        : Cmca-4     volume 1.116 A^3/H with Hydrogen   centroids
cmca4_v1.116_static.cif                 : Cmca-4     volume 1.116 A^3/H with Static     centroids
cmca4_v1.248028193.cif                  : Cmca-4     volume 1.248 A^3/H with Hydrogen   centroids
cmca4_v1.248028193_static.cif           : Cmca-4     volume 1.248 A^3/H with Static     centroids
cmca4_v1.416_static.cif                 : Cmca-4     volume 1.416 A^3/H with Static     centroids
csiv_v1.067_deu.cif                     : Cs-IV      volume 1.067 A^3/H with Deuterium  centroids
csiv_v1.067_hyd.cif                     : Cs-IV      volume 1.067 A^3/H with Hydrogen   centroids
csiv_v1.067_static.cif                  : Cs-IV      volume 1.067 A^3/H with Static     centroids
csiv_v1.116_deu.cif                     : Cs-IV      volume 1.116 A^3/H with Deuterium  centroids
csiv_v1.116_hyd.cif                     : Cs-IV      volume 1.116 A^3/H with Hydrogen   centroids
csiv_v1.116_static.cif                  : Cs-IV      volume 1.116 A^3/H with Static     centroids
csiv_v1.259_deu.cif                     : Cs-IV      volume 1.259 A^3/H with Deuterium  centroids
csiv_v1.259_hyd.cif                     : Cs-IV      volume 1.259 A^3/H with Hydrogen   centroids
csiv_v1.259_static.cif                  : Cs-IV      volume 1.259 A^3/H with Static     centroids
p62c_v1.1156_hyd.cif                    : P62/c-24   volume 1.116 A^3/H with Hydrogen   centroids
p62c_v1.2591_hyd.cif                    : P62/c-24   volume 1.259 A^3/H with Hydrogen   centroids