LMucko/crystallography-open-database huggingface dataset:
Structure of the γ~1~ phase of erucic acid
Kaneko, F.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Sato, K.; Suzuki, M.; Acta Crystallographica Section C 48 (1992) 1060–1063; doi:10.1107/S0108270191012994

data_2000829
_publ_section_title
;
 Structure of the \g~1~ phase of erucic acid
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1060
_journal_page_last               1063
_journal_paper_doi               10.1107/S0108270191012994
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C22 H42 O2'
_chemical_formula_weight         338.57
_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                91.200(10)
_cell_angle_beta                 90.85(2)
_cell_angle_gamma                117.32(2)
_cell_formula_units_Z            2
_cell_length_a                   5.4620(10)
_cell_length_b                   5.1970(10)
_cell_length_c                   44.160(10)
_cell_volume                     1113.0(4)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.44
_exptl_crystal_density_diffrn    1.01
_exptl_crystal_F_000             380
_cod_data_source_file            as0523.cif
_cod_data_source_block           as0523a
_cod_original_cell_volume        1113.0(5)
_cod_database_code               2000829
Structure of (4<i>Z</i>,6<i>Z</i>)-6-acetyl-7-hydroxy-2,4,6-octatriene-4-olide
Lokaj, J.; Sivý, P.; Ilavsky, D.; Marchalin, S.; Vrabel, V.; Kettmann, V.; Acta Crystallographica Section C 48 (1992) 1063–1065; doi:10.1107/S0108270191013021

data_2000830
_publ_section_title
;
 Structure of
 (4<i>Z</i>,6<i>Z</i>)-6-acetyl-7-hydroxy-2,4,6-octatriene-4-olide
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1063
_journal_page_last               1065
_journal_paper_doi               10.1107/S0108270191013021
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C10 H10 O4'
_chemical_formula_weight         194.2
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.60(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.266(7)
_cell_length_b                   14.570(10)
_cell_length_c                   7.404(5)
_cell_volume                     947.4(12)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.66
_exptl_crystal_density_diffrn    1.362
_exptl_crystal_density_meas      1.350(10)
_exptl_crystal_F_000             408
_cod_data_source_file            ka0011.cif
_cod_data_source_block           ka0011a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        947(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2000830
Structure of 2,3,-di-<i>tert</i>-butyl-5,6,7,8-<i>endo</i>-tetrakis(hydroxymethyl)bicyclo[2.2.2]oct-2-ene
Yasui, M.; Tsuchiya, T.; Iwasaki, F.; Nakayama, J.; Acta Crystallographica Section C 48 (1992) 1065–1068; doi:10.1107/S010827019101301X

data_2000831
_publ_section_title
;Structure of
 2,3,-di-<i>tert</i>-butyl-5,6,7,8-<i>endo</i>-tetrakis(hydroxymethyl)bicyclo[2.2.2]oct-2-ene
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1065
_journal_page_last               1068
_journal_paper_doi               10.1107/S010827019101301X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C20 H36 O4'
_chemical_formula_sum            'C20 H36 O4'
_chemical_formula_weight         340.5
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   29.056(9)
_cell_length_b                   13.127(3)
_cell_length_c                   10.068(2)
_cell_volume                     3840.1(17)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.075
_exptl_crystal_density_diffrn    1.178
_exptl_crystal_density_meas      1.174
_exptl_crystal_F_000             1504
_cod_data_source_file            as0535.cif
_cod_data_source_block           as0535a
_cod_original_cell_volume        3840(2)
_cod_database_code               2000831
Structure of an anti-arrhythmic and hypotensive agent: 1-{3-[4-(3-chlorophenyl)-1-piperazinyl]-2-hydroxypropyl}pyrrolidin-2-one
Ciechanowicz-Rutkowska, M.; Stadnicka, K.; Filippini, G.; Pilati, T.; Acta Crystallographica Section C 48 (1992) 1068–1071; doi:10.1107/S0108270191013112

data_2000832
_publ_section_title
;
 Structure of an anti-arrhythmic and hypotensive agent:
 1-{3-[4-(3-chlorophenyl)-1-piperazinyl]-2-hydroxypropyl}pyrrolidin-2-one
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1068
_journal_page_last               1071
_journal_paper_doi               10.1107/S0108270191013112
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C17 H24 Cl N3 O2'
_chemical_formula_weight         337.85
_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                 99.960(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.492(2)
_cell_length_b                   6.5920(10)
_cell_length_c                   17.193(2)
_cell_volume                     1729.3(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.23
_exptl_crystal_density_diffrn    1.2980(10)
_exptl_crystal_F_000             720
_cod_data_source_file            al0483.cif
_cod_data_source_block           al0483a
_cod_original_formula_sum        'C17 H24 Cl1 N3 O2'
_cod_database_code               2000832
Structure of 1,3,5-tribenzoylperhydro-1,3,5-triazine
Ogawa, K.; Yoshimura, S.; Takeuchi, Y.; Katritzky, A.; Murugan, R.; Acta Crystallographica Section C 48 (1992) 1071–1074; doi:10.1107/S0108270191013008

data_2000833
_publ_section_title
;
 Structure of 1,3,5-tribenzoylperhydro-1,3,5-triazine
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1071
_journal_page_last               1074
_journal_paper_doi               10.1107/S0108270191013008
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C24 H21 N3 O3'
_chemical_formula_sum            'C24 H21 N3 O3'
_chemical_formula_weight         399.45
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.3130(10)
_cell_length_b                   19.1870(10)
_cell_length_c                   9.6363(9)
_cell_volume                     2091.7(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.08
_exptl_crystal_density_diffrn    1.268
_exptl_crystal_F_000             840
_cod_data_source_file            as0533.cif
_cod_data_source_block           as0533a
_cod_original_cell_volume        2091.6(3)
_cod_database_code               2000833
2,8-Dioxo-2,8-diphenoxy-1,3,7,9-tetraaza-2λ^5^,8λ^5^-diphosphatricyclo[7.3.0.0^3,7^]dodekan
Englehardt, U.; Stromburg, B.; Acta Crystallographica Section C 48 (1992) 1074–1076; doi:10.1107/S0108270191013331

data_2000834
_publ_section_title
2,8-Dioxo-2,8-diphenoxy-1,3,7,9-tetraaza-2\l^5^,8\l^5^-diphosphatricyclo[7.3.0.0^3,7^]dodekan
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1074
_journal_page_last               1076
_journal_paper_doi               10.1107/S0108270191013331
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H22 N4 O4 P2'
_chemical_formula_weight         420.346
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.33(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.995(2)
_cell_length_b                   14.902(5)
_cell_length_c                   9.803(4)
_cell_volume                     958.2(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.25
_exptl_crystal_density_diffrn    1.457
_exptl_crystal_F_000             440
_cod_data_source_file            bx0558.cif
_cod_data_source_block           bx0558a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-02-09
;
_cod_original_cell_volume        958.0(10)
_cod_database_code               2000834
Structure of 3-(2-hydroxyphenyl)propionic acid
Begum, N. S.; Jain, M.; Chandrasekhar, S.; Venkatesan, K.; Acta Crystallographica Section C 48 (1992) 1076–1078; doi:10.1107/S0108270191012970

data_2000835
_publ_section_title
;
 Structure of 3-(2-hydroxyphenyl)propionic acid
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1076
_journal_page_last               1078
_journal_paper_doi               10.1107/S0108270191012970
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C9 H10 O3'
_chemical_formula_sum            'C9 H10 O3'
_chemical_formula_weight         166
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.670(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.2480(10)
_cell_length_b                   5.145(2)
_cell_length_c                   19.724(2)
_cell_volume                     836.9(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.06
_exptl_crystal_density_diffrn    1.317
_exptl_crystal_density_meas      1.304
_exptl_crystal_F_000             352
_cod_data_source_file            li0100.cif
_cod_data_source_block           li0100a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        836.7(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2000835
Structure of a biologically active conjugate of auxin: <i>N</i>-indol-3-ylacetyl-<small>L</small>-norleucine at 297 and 133 K
Nigović, B.; Kojić-Prodić, B.; Puntarec, V.; Acta Crystallographica Section C 48 (1992) 1079–1082; doi:10.1107/S0108270191012969

data_2000836
_publ_section_title
;
 Structure of a biologically active conjugate of auxin:
 <i>N</i>-indol-3-ylacetyl-<small>L</small>-norleucine at 297 and 133 K
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1079
_journal_page_last               1082
_journal_paper_doi               10.1107/S0108270191012969
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C16 H20 N2 O3'
_chemical_formula_weight         288.35
_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                 108.38(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.350(6)
_cell_length_b                   9.271(2)
_cell_length_c                   9.695(12)
_cell_volume                     797.5(11)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.0782
_exptl_crystal_density_diffrn    1.201
_exptl_crystal_F_000             308
_cod_data_source_file            li0095.cif
_cod_data_source_block           li0095a
_cod_original_cell_volume        798.0(10)
_cod_database_code               2000836
Structure of a biologically active conjugate of auxin: <i>N</i>-indol-3-ylacetyl-<small>L</small>-norleucine at 297 and 133 K
Nigović, B.; Kojić-Prodić, B.; Puntarec, V.; Acta Crystallographica Section C 48 (1992) 1079–1082; doi:10.1107/S0108270191012969

data_2000837
_publ_section_title
;
 Structure of a biologically active conjugate of auxin:
 <i>N</i>-indol-3-ylacetyl-<small>L</small>-norleucine at 297 and 133 K
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1079
_journal_page_last               1082
_journal_paper_doi               10.1107/S0108270191012969
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C16 H20 N2 O3'
_chemical_formula_weight         288.35
_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                 107.83(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.474(6)
_cell_length_b                   9.163(4)
_cell_length_c                   9.524(6)
_cell_volume                     787.1(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.0792
_exptl_crystal_density_diffrn    1.217
_exptl_crystal_F_000             308
_cod_data_source_file            li0095.cif
_cod_data_source_block           li0095b
_cod_database_code               2000837
Structure of prudomestin
Parmar, V. S.; Vardhan, A.; Sharma, R. K.; Alcock, N. W.; Errington, W.; Acta Crystallographica Section C 48 (1992) 1090–1092; doi:10.1107/S0108270191013823

data_2000838
_publ_section_title
;
 Structure of prudomestin
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1090
_journal_page_last               1092
_journal_paper_doi               10.1107/S0108270191013823
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C17 H14 O7'
_chemical_formula_weight         330.3
_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                101.92(9)
_cell_angle_beta                 103.38(6)
_cell_angle_gamma                97.44(6)
_cell_formula_units_Z            2
_cell_length_a                   6.579(5)
_cell_length_b                   8.441(7)
_cell_length_c                   13.893(14)
_cell_volume                     721.5(12)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.12
_exptl_crystal_density_diffrn    1.52
_exptl_crystal_F_000             344
_cod_data_source_file            li0106.cif
_cod_data_source_block           li0106a
_cod_original_cell_volume        721
_cod_database_code               2000838
Structure of (20<i>R</i>)-5α-pregnano[3,4-<i>c</i>][1,2,5]oxadiazol-20-ol (HS1011)
Maes, D.; Wyns, L.; Lisgarten, J.; Lisgarten, D.; Palmer, R.; Acta Crystallographica Section C 48 (1992) 1092–1095; doi:10.1107/S010827019101466X

data_2000839
_publ_section_title
;
 Structure of
 (20<i>R</i>)-5\a-pregnano[3,4-<i>c</i>][1,2,5]oxadiazol-20-ol (HS1011)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1092
_journal_page_last               1095
_journal_paper_doi               10.1107/S010827019101466X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C21 H32 N2 O2'
_chemical_formula_weight         344
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.3530(10)
_cell_length_b                   10.1530(10)
_cell_length_c                   25.324(3)
_cell_volume                     1890.6(4)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.53
_exptl_crystal_density_diffrn    1.21
_exptl_crystal_F_000             752
_cod_data_source_file            he0035.cif
_cod_data_source_block           he0035a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18
;
_cod_original_cell_volume        1891
_cod_database_code               2000839
Structure of [PrCl~3~(EO4)]~2~
Rogers, R. D.; Henry, R. F.; Acta Crystallographica Section C 48 (1992) 1099–1101; doi:10.1107/S0108270191012763

data_2000840
_publ_section_title
;
 Structure of [PrCl~3~(EO4)]~2~
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1099
_journal_page_last               1101
_journal_paper_doi               10.1107/S0108270191012763
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C16 H36 Cl6 O10 Pr2'
_chemical_formula_weight         882.99
_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                86.01(9)
_cell_angle_beta                 72.30(6)
_cell_angle_gamma                78.09(9)
_cell_formula_units_Z            1
_cell_length_a                   8.564(5)
_cell_length_b                   9.439(9)
_cell_length_c                   9.566(5)
_cell_volume                     720.8(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    3.93
_exptl_crystal_density_diffrn    2.03
_exptl_crystal_F_000             432
_cod_data_source_file            cd0074.cif
_cod_data_source_block           cd0074a
_cod_original_cell_volume        720.8
_cod_database_code               2000840
Structure of bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato)gold(III) hexafluoroantimonate
Hong, M.; Huang, Z.; Lei, X.; Jiang, F.; Liu, H.; Acta Crystallographica Section C 48 (1992) 1101–1102; doi:10.1107/S010827019101291X

data_2000841
_publ_section_title
;
 Structure of bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato)gold(III)
 hexafluoroantimonate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1101
_journal_page_last               1102
_journal_paper_doi               10.1107/S010827019101291X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C10 H20 Au1 N2 S4,F6 Sb1'
_chemical_formula_sum            'C10 H20 Au F6 N2 S4 Sb'
_chemical_formula_weight         1458.55
_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                100.370(10)
_cell_angle_beta                 105.92(5)
_cell_angle_gamma                74.69(3)
_cell_formula_units_Z            4
_cell_length_a                   14.533(3)
_cell_length_b                   18.004(5)
_cell_length_c                   8.538(2)
_cell_volume                     2058.1(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    8.87
_exptl_crystal_density_diffrn    2.353
_exptl_crystal_F_000             1368
_cod_data_source_file            as0529.cif
_cod_data_source_block           as0529a
_cod_original_cell_volume        2058.06
_cod_original_formula_sum        'C10 H20 Au1 F6 N2 S4 Sb1'
_cod_database_code               2000841
Structure of bis(triphenylphosphine)iminium tetracarbonyl(α-ethoxycarbonylethyl)ferrate: [{(C~6~H~5~)~3~P}~2~N][Fe(CO)~4~{CH(CH~3~)COOC~2~H~5~}]
Brunet, J.-J.; Dahan, F.; Passelaigue, E.; Acta Crystallographica Section C 48 (1992) 1103–1105; doi:10.1107/S0108270191012945

data_2000842
_publ_section_title
;
 Structure of bis(triphenylphosphine)iminium
 tetracarbonyl(\a-ethoxycarbonylethyl)ferrate:
 [{(C~6~H~5~)~3~P}~2~N][Fe(CO)~4~{CH(CH~3~)COOC~2~H~5~}]
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1103
_journal_page_last               1105
_journal_paper_doi               10.1107/S0108270191012945
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C45 H39 Fe N O6 P2'
_chemical_formula_weight         807.6
_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                93.880(10)
_cell_angle_beta                 95.710(10)
_cell_angle_gamma                106.860(10)
_cell_formula_units_Z            4
_cell_length_a                   16.908(2)
_cell_length_b                   27.038(3)
_cell_length_c                   9.5310(10)
_cell_volume                     4127.8(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.49
_exptl_crystal_density_diffrn    1.30
_exptl_crystal_F_000             1680
_cod_data_source_file            pa0260.cif
_cod_data_source_block           pa0260a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        4128(2)
_cod_original_formula_sum        'C45 H39 Fe1 N1 O6 P2'
_cod_database_code               2000842