data_cif
_audit_creation_date              'Tuesday, September 08, 2015 05:19p'
_audit_creation_method            'MDI Jade 7'

_chemical_name_common
;
;
_chemical_formula_sum             'Co24 N125.16 C250.33 O93.65 H239.03'
_publ_section_references
;
;
_publ_section_comment
;
 ZIF-L-Co.cif
;
_symmetry_cell_setting            Orthorhombic
_symmetry_space_group_name_H-M    Cmca
_symmetry_Int_Tables_number       64
loop_
 _symmetry_equiv_pos_as_xyz
 ' x,  y,  z'
 '-x, -y, -z'
 ' x, -y, -z'
 '-x,  y,  z'
 ' x, -y+1/2,  z+1/2'
 '-x,  y-1/2, -z-1/2'
 ' x,  y+1/2, -z+1/2'
 '-x, -y-1/2,  z-1/2'

_cell_length_a                    24.11298
_cell_length_b                    16.94684
_cell_length_c                    19.73992
_cell_angle_alpha                 90.0
_cell_angle_beta                  90.0
_cell_angle_gamma                 90.0
_cell_volume                      8066.5
_cell_formula_units_Z             1

loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_symmetry_multiplicity
 _atom_site_occupancy
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_B_iso_or_equiv
 _atom_site_thermal_displace_type
Co1  Co   8   1.0   0.25     0.05545  0.25     4.07     Biso
Co2  Co   16  1.0   0.12592  0.3076   0.10051  4.07     Biso
C11  C    16  1.0   0.19263  0.18502  0.16932  5.74     Biso
C12  C    16  1.0   0.10714  0.17416  0.20478  5.74     Biso
C13  C    16  1.0   0.13661  0.11147  0.22875  5.74     Biso
C14  C    16  1.0   0.24474  0.21976  0.14063  5.74     Biso
N15  N    16  1.0   0.14276  0.21979  0.16594  5.74     Biso
N16  N    16  1.0   0.19156  0.12219  0.21025  5.74     Biso
H12  H    16  1.0   0.06983  0.18443  0.21302  6.88     Biso
H13  H    16  1.0   0.12237  0.06929  0.25308  6.88     Biso
H14A H    16  1.0   0.24039  0.22731  0.09268  8.6      Biso
H14B H    16  1.0   0.25191  0.26936  0.16196  8.6      Biso
H14C H    16  1.0   0.27528  0.18487  0.14887  8.6      Biso
C21  C    16  1.0   0.18713  -0.07037 0.32095  5.74     Biso
C22  C    16  1.0   0.20822  -0.06304 0.42842  5.74     Biso
C23  C    16  1.0   0.2367   -0.00556 0.39479  5.74     Biso
C24  C    16  1.0   0.1604   -0.09494 0.25561  5.74     Biso
N25  N    16  1.0   0.17585  -0.10299 0.38131  5.74     Biso
N26  N    16  1.0   0.22012  -0.00764 0.32729  5.74     Biso
H22  H    16  1.0   0.21015  -0.07357 0.47463  6.88     Biso
H23  H    16  1.0   0.26246  0.0287   0.41365  6.88     Biso
H24A H    16  1.0   0.16835  -0.14925 0.24712  8.6      Biso
H24B H    16  1.0   0.12097  -0.08767 0.25876  8.6      Biso
H24C H    16  1.0   0.17476  -0.06363 0.21915  8.6      Biso
C31  C    8   1.0   0.0      0.29368  0.09588  5.74     Biso
C32  C    16  1.0   0.0285   0.41024  0.12636  5.74     Biso
C34  C    8   1.0   0.0      0.21208  0.06806  5.74     Biso
N35  N    16  1.0   0.0461   0.3344   0.11114  5.74     Biso
H32  H    16  1.0   0.05126  0.45317  0.13498  6.88     Biso
H34A H    16  0.5   0.01951  0.21126  0.02562  8.6      Biso
H34B H    16  0.5   0.01804  0.17751  0.09955  8.6      Biso
H34C H    16  0.5   -0.03755 0.19506  0.06113  8.6      Biso
C41  C    16  1.0   0.10948  0.30187  -0.05354 5.74     Biso
C42  C    16  1.0   0.14144  0.19848  -0.00108 5.74     Biso
C43  C    16  1.0   0.12925  0.17782  -0.06644 5.74     Biso
C44  C    16  1.0   0.09124  0.38428  -0.06776 5.74     Biso
N45  N    16  1.0   0.13313  0.27897  0.0046   5.74     Biso
N46  N    16  1.0   0.11474  0.24625  -0.10076 5.74     Biso
H42  H    16  1.0   0.15312  0.16489  0.03323  6.88     Biso
H43  H    16  1.0   0.12955  0.12843  -0.08417 6.88     Biso
H44A H    16  1.0   0.10694  0.42031  -0.03563 8.6      Biso
H44B H    16  1.0   0.10282  0.39849  -0.11269 8.6      Biso
H44C H    16  1.0   0.05149  0.38625  -0.06501 8.6      Biso
H46  H    16  0.588 0.1101   0.25159  -0.14375 6.88     Biso
C51  C    8   0.822 0.0      0.25936  0.30836  5.74     Biso
C52  C    16  0.822 0.0284   0.38084  0.31467  5.74     Biso
C54  C    8   0.822 0.0      0.17143  0.30807  5.74     Biso
N55  N    16  0.822 0.0455   0.30372  0.30342  5.74     Biso
H52  H    16  0.822 0.05131  0.42414  0.32099  6.88     Biso
H55  H    16  0.411 0.07869  0.28792  0.29499  6.88     Biso
H54A H    16  0.411 0.0329   0.1511   0.3296   8.6      Biso
H54C H    8   0.411 0.0      0.15413  0.26176  8.6      Biso
O11  O-2  16  0.5   0.0322   -0.013   0.0579   7.96     Biso
O16  O-2  16  0.353 0.1061   0.5076   0.4466   7.96     Biso
