LMucko/crystallography-open-database huggingface dataset:
Structure of 2-selenoxoperhydro-2<i>H</i>-thieno[3,4-<i>d</i>][1,3]dithiole 5,5-dioxide
Molins, E.; Veciana, J.; Miravitlles, C.; Acta Crystallographica Section C 49 (1993) 1129–1130; doi:10.1107/S0108270193001799

data_2001603
_publ_section_title
;
 Structure of
 2-selenoxoperhydro-2<i>H</i>-thieno[3,4-<i>d</i>][1,3]dithiole
 5,5-dioxide
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1129
_journal_page_last               1130
_journal_paper_doi               10.1107/S0108270193001799
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C5 H6 O2 S3 Se'
_chemical_formula_weight         273
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.6(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.599(2)
_cell_length_b                   6.8610(10)
_cell_length_c                   11.889(4)
_cell_volume                     849.8(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    5.0
_exptl_crystal_density_diffrn    2.14
_exptl_crystal_F_000             536
_cod_data_source_file            na1018.cif
_cod_data_source_block           na1018_structure_1_of_1
_cod_original_cell_volume        849.8
_cod_database_code               2001603
Structures of the monoclinic form of Ph~3~PAuRuRh~3~(CO)~12~ (I) and its cubic form with Ru~3~(CO)~12~ (II)
Pursiainen, J.; Pakkanen, T. A.; Ahlgrén, M.; Valkonen, J.; Acta Crystallographica Section C 49 (1993) 1142–1146; doi:10.1107/S0108270192012575

data_2001611
_publ_section_title
;
 Structures of the monoclinic form of Ph~3~PAuRuRh~3~(CO)~12~ (I) and
 its cubic form with Ru~3~(CO)~12~ (II)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1142
_journal_page_last               1146
_journal_paper_doi               10.1107/S0108270192012575
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C30 H15 Au O12 P Rh3 Ru'
_chemical_formula_weight         1205.17
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 102.97
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.9710(10)
_cell_length_b                   22.501(3)
_cell_length_c                   17.191(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      11
_cell_measurement_theta_min      9
_cell_volume                     3381.6(8)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            10082
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        insignificant
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.26
_exptl_absorpt_correction_T_max  1.040
_exptl_absorpt_correction_T_min  0.822
_exptl_absorpt_correction_type   'empirical (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            'Dark brown'
_exptl_crystal_density_diffrn    2.37
_exptl_crystal_description       Needle
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.93
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     433
_refine_ls_number_reflns         6371
_refine_ls_R_factor_obs          0.027
_refine_ls_shift/esd_max         0.05
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.027
_reflns_number_observed          6371
_reflns_number_total             9836
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ab1029.cif
_cod_data_source_block           ab1029_structure_1_of_2
_cod_original_cell_volume        3381.6
_cod_original_formula_sum        'C30 H15 Au1 O12 P1 Rh3 Ru1'
_cod_database_code               2001611
Structure of 4-nitrobenzyl <i>N</i>-(4-nitrobenzyloxy)trifluoroacetimidate
Brown, D. M.; Lin, P. K. T.; Van Meervelt, L.; Acta Crystallographica Section C 49 (1993) 1209–1211; doi:10.1107/S0108270192013271

data_2001644
_publ_section_title
;
 Structure of 4-nitrobenzyl
 <i>N</i>-(4-nitrobenzyloxy)trifluoroacetimidate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1209
_journal_page_last               1211
_journal_paper_doi               10.1107/S0108270192013271
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C16 H12 F3 N3 O6'
_chemical_formula_weight         399.3
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                95.680(10)
_cell_angle_beta                 103.20(2)
_cell_angle_gamma                107.62(2)
_cell_formula_units_Z            2
_cell_length_a                   7.3330(10)
_cell_length_b                   8.3390(10)
_cell_length_c                   15.616(4)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    289
_cell_measurement_theta_max      18
_cell_measurement_theta_min      7
_cell_volume                     871.4(3)
_diffrn_measurement_device       'Siemens P4-PC'
_diffrn_measurement_method       2\q/\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0226
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            2325
_diffrn_reflns_theta_max         50.25
_diffrn_standards_decay_%        6
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.175
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    1.522
_exptl_crystal_description       Parallelepiped
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.50
_refine_diff_density_min         -0.29
_refine_ls_goodness_of_fit_obs   1.02
_refine_ls_hydrogen_treatment
;Riding model for H atoms: C-H 0.96 \%A,
fixed U~iso~ 0.08 \%A^2^
;
_refine_ls_number_parameters     253
_refine_ls_number_reflns         1485
_refine_ls_R_factor_obs          0.0709
_refine_ls_shift/esd_max         0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.0637
_reflns_number_observed          1485
_reflns_number_total             1790
_reflns_observed_criterion       F>4\s(F)
_cod_data_source_file            li1038.cif
_cod_data_source_block           li1038_structure_1_of_1
_cod_original_cell_volume        871.4(4)
_cod_database_code               2001644
Structure de Eu~2~(PO~3~H)~3~.2,5H~2~O
Foulon, J.-D.; Tijani, N.; Durand, J.; Rafiq, M.; Cot, L.; Acta Crystallographica Section C 49 (1993) 849–851; doi:10.1107/S0108270192012587

data_2001659
_publ_section_title
;
 Structure de Eu~2~(PO~3~H)~3~.2,5H~2~O
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              849
_journal_page_last               851
_journal_paper_doi               10.1107/S0108270192012587
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'Eu2 H3 O9 P3,2.5(H2 O1)'
_chemical_formula_sum            'Eu2 H8 O11.5 P3'
_chemical_formula_weight         588.9
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                82.660(10)
_cell_angle_beta                 80.640(10)
_cell_angle_gamma                73.970(10)
_cell_formula_units_Z            2
_cell_length_a                   6.6080(10)
_cell_length_b                   6.8990(10)
_cell_length_c                   12.977(2)
_cell_volume                     558.88(15)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    11.60
_exptl_crystal_density_diffrn    3.500
_exptl_crystal_density_meas      3.480(10)
_exptl_crystal_F_000             542
_cod_data_source_file            du1019.cif
_cod_data_source_block           du1019_structure_1_of_1
_cod_original_cell_volume        556.4(2)
_cod_database_code               2001659
Structure of Sr~4~IrO~6~ by time-of-flight neutron powder diffraction
Powell, A. V.; Battle, P. D.; Gore, J. G.; Acta Crystallographica Section C 49 (1993) 852–854; doi:10.1107/S0108270192012721

data_2001660
_publ_section_title
;
 Structure of Sr~4~IrO~6~ by time-of-flight neutron powder diffraction
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              852
_journal_page_last               854
_journal_paper_doi               10.1107/S0108270192012721
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Ir O6 Sr4'
_chemical_formula_weight         638.7
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   9.73439(9)
_cell_length_b                   9.73439(9)
_cell_length_c                   11.8920(2)
_cell_volume                     975.89(2)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           Neutron
_exptl_crystal_density_diffrn    6.52
_exptl_crystal_F_000             417.8
_cod_data_source_file            hu1016.cif
_cod_data_source_block           hu1016_structure_1_of_1
_cod_original_cell_volume        975.9
_cod_original_sg_symbol_H-M      'R -3 c {hexagonal axes}'
_cod_database_code               2001660
Structure of a synthetic double-layer silicate, Rb~2~Cu~2~Si~8~O~19~
Watanabe, I.; Kawahara, A.; Acta Crystallographica Section C 49 (1993) 854–856; doi:10.1107/S0108270192011892

data_2001661
_publ_section_title
;
 Structure of a synthetic double-layer silicate, Rb~2~Cu~2~Si~8~O~19~
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              854
_journal_page_last               856
_journal_paper_doi               10.1107/S0108270192011892
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Cu2 O19 Rb2 Si8'
_chemical_formula_weight         826.7
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.280(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.450(2)
_cell_length_b                   8.409(2)
_cell_length_c                   9.8470(10)
_cell_volume                     944.1(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    8.35
_exptl_crystal_density_diffrn    2.91
_exptl_crystal_F_000             792
_cod_data_source_file            oh1000.cif
_cod_data_source_block           oh1000_structure_1_of_1
_cod_database_code               2001661
Structure of potassium paradodecatungstate 71/2-hydrate
Evans, Jnr, H. T.; Kortz, U.; Jameson, G. B.; Acta Crystallographica Section C 49 (1993) 856–861; doi:10.1107/S0108270192012010

data_2001662
_publ_section_title
;
 Structure of potassium paradodecatungstate 71/2-hydrate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              856
_journal_page_last               861
_journal_paper_doi               10.1107/S0108270192012010
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'H17 K10 O50 W12'
_chemical_formula_weight         3406.3
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                96.77(2)
_cell_angle_beta                 90.04(2)
_cell_angle_gamma                77.77(2)
_cell_formula_units_Z            2
_cell_length_a                   13.126(2)
_cell_length_b                   16.274(7)
_cell_length_c                   11.756(4)
_cell_volume                     2436.4(14)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    28.05
_exptl_crystal_density_diffrn    4.645
_exptl_crystal_F_000             2982
_cod_data_source_file            gr0197.cif
_cod_data_source_block           gr0197_structure_1_of_1
_cod_original_cell_volume        2436.4
_cod_database_code               2001662
Structures of tetrakis(2-amino-6-methylpyridinium) <i>catena</i>-bis(acetonitrile)tetradeca-μ-chloro-pentanickelate(II) and bis(3-picolinium) <i>catena</i>-diaquaocta-μ-chloro-trinickelate(II)
Bond, M. R.; Willett, R. D.; Acta Crystallographica Section C 49 (1993) 861–865; doi:10.1107/S0108270192009600

data_2001663
_publ_section_title
;
 Structures of tetrakis(2-amino-6-methylpyridinium)
 <i>catena</i>-bis(acetonitrile)tetradeca-\m-chloro-pentanickelate(II)
 and bis(3-picolinium)
 <i>catena</i>-diaquaocta-\m-chloro-trinickelate(II)
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              861
_journal_page_last               865
_journal_paper_doi               10.1107/S0108270192009600
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C28 H42 Cl14 N10 Ni5'
_chemical_formula_weight         1308.6
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                73.090(10)
_cell_angle_beta                 73.650(10)
_cell_angle_gamma                70.870(10)
_cell_formula_units_Z            1
_cell_length_a                   8.6860(10)
_cell_length_b                   12.483(2)
_cell_length_c                   12.933(2)
_cell_volume                     1240.4(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.670
_exptl_crystal_density_diffrn    1.75
_exptl_crystal_F_000             658
_cod_data_source_file            st0571.cif
_cod_data_source_block           st0571_structure_1_of_2
_cod_database_code               2001663
Structures of tetrakis(2-amino-6-methylpyridinium) <i>catena</i>-bis(acetonitrile)tetradeca-μ-chloro-pentanickelate(II) and bis(3-picolinium) <i>catena</i>-diaquaocta-μ-chloro-trinickelate(II)
Bond, M. R.; Willett, R. D.; Acta Crystallographica Section C 49 (1993) 861–865; doi:10.1107/S0108270192009600

data_2001664
_publ_section_title
;
 Structures of tetrakis(2-amino-6-methylpyridinium)
 <i>catena</i>-bis(acetonitrile)tetradeca-\m-chloro-pentanickelate(II)
 and bis(3-picolinium)
 <i>catena</i>-diaquaocta-\m-chloro-trinickelate(II)
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              861
_journal_page_last               865
_journal_paper_doi               10.1107/S0108270192009600
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C12 H20 Cl8 N2 Ni3 O2'
_chemical_formula_weight         684.0
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                85.150(10)
_cell_angle_beta                 83.710(10)
_cell_angle_gamma                69.080(10)
_cell_formula_units_Z            1
_cell_length_a                   7.6480(10)
_cell_length_b                   8.4980(10)
_cell_length_c                   9.5500(10)
_cell_volume                     575.58(12)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    3.393
_exptl_crystal_density_diffrn    1.97
_exptl_crystal_F_000             342
_cod_data_source_file            st0571.cif
_cod_data_source_block           st0571_structure_2_of_2
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        575.6(2)
_cod_database_code               2001664
Structure of an erbium coordination compound with <small>L</small>-proline, {[Er(Pro)~2~(H~2~O)~5~]Cl~3~}~<i>n~</i>
Ma, A.-Z.; Li, L.-M.; Lin, Y.-H.; Xi, S.-Q.; Acta Crystallographica Section C 49 (1993) 865–867; doi:10.1107/S0108270192012113

data_2001665
_publ_section_title
;
 Structure of an erbium coordination compound with
 <small>L</small>-proline, {[Er(Pro)~2~(H~2~O)~5~]Cl~3~}~<i>n~</i>
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              865
_journal_page_last               867
_journal_paper_doi               10.1107/S0108270192012113
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C10 H28 Cl3 Er1 N2 O9'
_chemical_formula_sum            'C10 H28 Cl3 Er N2 O9'
_chemical_formula_weight         594.0
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.04(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.2940(10)
_cell_length_b                   10.981(3)
_cell_length_c                   11.934(3)
_cell_volume                     1039.2(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    4.52
_exptl_crystal_density_diffrn    1.90
_exptl_crystal_F_000             586
_cod_data_source_file            mu1025.cif
_cod_data_source_block           mu1025_structure_1_of_1
_cod_original_formula_sum        'C10 H28 Cl3 Er1 N2 O9'
_cod_database_code               2001665
Structure of dipotassium (nitrilo-κ<i>N</i>-triacetato-κ^3^<i></i><i>O</i>,<i>O</i>'',<i>O</i>'''')oxoperoxovanadate(V)‒water (1/2)
Lapshin, A. E.; Smolin, Y. I.; Shepelev, Y. F.; Sivák, M.; Gyepesová, D.; Acta Crystallographica Section C 49 (1993) 867–870; doi:10.1107/S0108270192011843

data_2001666
_publ_section_title
;Structure of dipotassium
 (nitrilo-\k<i>N</i>-triacetato-\k^3^<i></i><i>O</i>,<i>O</i>'',<i>O</i>'''')oxoperoxovanadate(V)--water
 (1/2)
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              867
_journal_page_last               870
_journal_paper_doi               10.1107/S0108270192011843
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C6 H6 K2 N1 O7 V,2(H2 O1)'
_chemical_formula_sum            'C6 H10 K2 N O11 V'
_chemical_formula_weight         401.28
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c -2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.597(5)
_cell_length_b                   12.951(3)
_cell_length_c                   13.131(5)
_cell_volume                     1291.9(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.44
_exptl_crystal_density_diffrn    2.06
_exptl_crystal_F_000             808
_cod_data_source_file            ab1026.cif
_cod_data_source_block           ab1026_structure_1_of_1
_cod_original_cell_volume        1291.90(10)
_cod_original_formula_sum        'C6 H10 K2 N1 O11 V1'
_cod_database_code               2001666
Structure of bis{2'-[α-(2-pyridyl)benzylidene]salicylohydrazido}zinc(II)
Sur, H.; Roychowdhuri, S.; Seth, S.; Acta Crystallographica Section C 49 (1993) 870–873; doi:10.1107/S0108270192012319

data_2001667
_publ_section_title
;
 Structure of
 bis{2'-[\a-(2-pyridyl)benzylidene]salicylohydrazido}zinc(II)
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              870
_journal_page_last               873
_journal_paper_doi               10.1107/S0108270192012319
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         '2(C19 H14 N3 O2),Zn1'
_chemical_formula_sum            'C38 H28 N6 O4 Zn'
_chemical_formula_weight         698.06
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.79(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.460(5)
_cell_length_b                   9.632(3)
_cell_length_c                   24.667(2)
_cell_volume                     3045.1(18)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.877
_exptl_crystal_density_diffrn    1.523
_exptl_crystal_density_meas      1.54
_exptl_crystal_F_000             1440
_cod_data_source_file            mu0262.cif
_cod_data_source_block           mu0262_structure_1_of_1
_cod_original_cell_volume        3045(2)
_cod_original_formula_sum        'C38 H28 N6 O4 Zn1'
_cod_database_code               2001667