LMucko/crystallography-open-database huggingface dataset:
Structure of tetracarbonyl[(2,3,7,8,12,13,17,18-octaethylporphinato)germanio(IV)]iron
Habbou, A.; Lecomte, C.; Barbe, J. M.; Acta Crystallographica Section C 48 (1992) 921–923; doi:10.1107/S0108270191012635

data_2000916
_publ_section_title
;
 Structure of
 tetracarbonyl[(2,3,7,8,12,13,17,18-octaethylporphinato)germanio(IV)]iron
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              921
_journal_page_last               923
_journal_paper_doi               10.1107/S0108270191012635
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C40 H44 Fe1 Ge1 N4 O4'
_chemical_formula_sum            'C40 H44 Fe Ge N4 O4'
_chemical_formula_weight         773.25
_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                59.99(2)
_cell_angle_beta                 61.53(2)
_cell_angle_gamma                69.15(2)
_cell_formula_units_Z            2
_cell_length_a                   12.123(2)
_cell_length_b                   13.851(3)
_cell_length_c                   15.028(3)
_cell_volume                     1897.9(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.2054
_exptl_crystal_density_diffrn    1.357
_exptl_crystal_F_000             804
_cod_data_source_file            pa0240.cif
_cod_data_source_block           pa0240a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        1897.9(7)
_cod_original_formula_sum        'C40 H44 Fe1 Ge1 N4 O4'
_cod_database_code               2000916
Structure of (2<i>R</i>,4<i>R</i>,5<i>R</i>)-2-chloro-3-isopropyl-4-methyl-5-phenyl-1,3,2-oxazaphospholidine 2-oxide
Robinson, P. D.; Hua, D. H.; Roche, D.; Acta Crystallographica Section C 48 (1992) 923–925; doi:10.1107/S0108270191010727

data_2000917
_publ_section_title
;Structure of
 (2<i>R</i>,4<i>R</i>,5<i>R</i>)-2-chloro-3-isopropyl-4-methyl-5-phenyl-1,3,2-oxazaphospholidine
 2-oxide
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              923
_journal_page_last               925
_journal_paper_doi               10.1107/S0108270191010727
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C12 H17 Cl N O2 P'
_chemical_formula_weight         273.70
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.714(5)
_cell_length_b                   14.726(2)
_cell_length_c                   7.453(4)
_cell_volume                     1395.4(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.375
_exptl_crystal_density_diffrn    1.303
_exptl_crystal_F_000             576
_cod_data_source_file            cr0375.cif
_cod_data_source_block           cr0375a
_cod_original_cell_volume        1395.0(10)
_cod_original_formula_sum        'C12 H17 Cl1 N1 O2 P1'
_cod_database_code               2000917
Structures of a pair of diastereomeric salts of ephedrine and dichloro-substituted cyclic phosphoric acid
Bruins Slot, H. J.; Leusen, F. J. J.; van der Haest, A. D.; van Bolhuis, F.; Acta Crystallographica Section C 48 (1992) 925–929; doi:10.1107/S0108270191011721

data_2000918
_publ_section_title
;
 Structures of a pair of diastereomeric salts of ephedrine and
 dichloro-substituted cyclic phosphoric acid
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              925
_journal_page_last               929
_journal_paper_doi               10.1107/S0108270191011721
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C10 H16 N1 O1,C11 H12 Cl2 O4 P1'
_chemical_formula_sum            'C21 H28 Cl2 N O5 P'
_chemical_formula_weight         476.335
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.840(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.0630(10)
_cell_length_b                   8.2060(10)
_cell_length_c                   14.8560(10)
_cell_volume                     1185.8(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    3.689
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_F_000             500
_cod_data_source_file            ab0249.cif
_cod_data_source_block           ab0249a
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C21 H28 Cl2 N1 O5 P1'
_cod_database_code               2000918
Structures of a pair of diastereomeric salts of ephedrine and dichloro-substituted cyclic phosphoric acid
Bruins Slot, H. J.; Leusen, F. J. J.; van der Haest, A. D.; van Bolhuis, F.; Acta Crystallographica Section C 48 (1992) 925–929; doi:10.1107/S0108270191011721

data_2000919
_publ_section_title
;
 Structures of a pair of diastereomeric salts of ephedrine and
 dichloro-substituted cyclic phosphoric acid
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              925
_journal_page_last               929
_journal_paper_doi               10.1107/S0108270191011721
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C10 H16 N1 O1,C11 H12 Cl2 O4 P1,H2 O1'
_chemical_formula_sum            'C21 H30 Cl2 N O6 P'
_chemical_formula_weight         494.351
_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                   6.5020(10)
_cell_length_b                   11.3930(10)
_cell_length_c                   32.7390(10)
_cell_volume                     2425.2(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.3660
_exptl_crystal_density_diffrn    1.354
_exptl_crystal_F_000             1040
_cod_data_source_file            ab0249.cif
_cod_data_source_block           ab0249b
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18
;
_cod_original_formula_sum        'C21 H30 Cl2 N1 O6 P1'
_cod_database_code               2000919
Structure of 2,3,4,5-tetra-<i>O</i>-acetyl-6-amino-6-deoxy-<small>D</small>-mannonolactam
Ondráček, J.; Novotný, J.; Kefurt, K.; Havlíček, J.; Acta Crystallographica Section C 48 (1992) 929–930; doi:10.1107/S010827019101171X

data_2000920
_publ_section_title
;
 Structure of
 2,3,4,5-tetra-<i>O</i>-acetyl-6-amino-6-deoxy-<small>D</small>-mannonolactam
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              929
_journal_page_last               930
_journal_paper_doi               10.1107/S010827019101171X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C14 H19 N O9'
_chemical_formula_weight         345.31
_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                   8.7420(10)
_cell_length_b                   10.9820(10)
_cell_length_c                   17.302(2)
_cell_volume                     1661.1(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.11
_exptl_crystal_density_diffrn    1.38
_exptl_crystal_density_meas      1.40
_exptl_crystal_F_000             728
_cod_data_source_file            li0112.cif
_cod_data_source_block           li0112a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18

 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-19
;
_cod_original_cell_volume        1661.1(2)
_cod_original_formula_sum        'C14 H19 N1 O9'
_cod_database_code               2000920
Structure of 4-bromo-13α-methyl-13aα<i>H</i>-tetrahydropseudocoptisin
Atkinson, A. M.; Rogers, D.; Acta Crystallographica Section C 48 (1992) 931–932; doi:10.1107/S0108270191011666

data_2000921
_publ_section_title
;
 Structure of
 4-bromo-13\a-methyl-13a\a<i>H</i>-tetrahydropseudocoptisin
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              931
_journal_page_last               932
_journal_paper_doi               10.1107/S0108270191011666
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C20 H18 Br N O4'
_chemical_formula_weight         416.271
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.215(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.259(2)
_cell_length_b                   4.876(2)
_cell_length_c                   28.326(2)
_cell_volume                     3468.2(15)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    3.4630
_exptl_crystal_density_diffrn    1.5944
_exptl_crystal_density_meas      1.59
_exptl_crystal_F_000             1696
_cod_data_source_file            ab0225.cif
_cod_data_source_block           ab0225a
_cod_original_cell_volume        3468.2
_cod_original_formula_sum        'C20 H18 Br1 N1 O4'
_cod_database_code               2000921
6,6''-Dibromo-4'-phenyl-2,2':6',2''-terpyridine
Constable, E. C.; Khan, F. K.; Marquez, V. E.; Raithby, P. R.; Acta Crystallographica Section C 48 (1992) 932–934; doi:10.1107/S0108270191012015

data_2000922
_publ_section_title
;
 6,6''-Dibromo-4'-phenyl-2,2':6',2''-terpyridine
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              932
_journal_page_last               934
_journal_paper_doi               10.1107/S0108270191012015
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C21 H13 Br2 N3'
_chemical_formula_weight         467.16
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.366(3)
_cell_length_b                   12.006(4)
_cell_length_c                   20.601(5)
_cell_volume                     1821.9(11)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    5.36
_exptl_crystal_density_diffrn    1.702
_exptl_crystal_F_000             920
_cod_data_source_file            ha0084.cif
_cod_data_source_block           ha0084a
_cod_original_cell_volume        1822.0(10)
_cod_database_code               2000922
Structure of octabenzone
Brito, I.; Cataldo, F.; Astudillo, L.; Rivera, P.; Acta Crystallographica Section C 48 (1992) 934–936; doi:10.1107/S0108270191011496

data_2000923
_publ_section_title
;
 Structure of octabenzone
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              934
_journal_page_last               936
_journal_paper_doi               10.1107/S0108270191011496
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C21 H26 O3'
_chemical_formula_sum            'C21 H26 O3'
_chemical_formula_weight         326.4
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.48(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.1860(10)
_cell_length_b                   5.5460(10)
_cell_length_c                   33.232(2)
_cell_volume                     1856.8(4)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.574
_exptl_crystal_density_diffrn    1.17
_exptl_crystal_F_000             704
_cod_data_source_file            al0492.cif
_cod_data_source_block           al0492a
_cod_depositor_comments
;
Adding counts of attached hydrogens according to the scheme, presented in
the original publication. As a result, calculated chemical formula is the
same as published one.

Andrius Merkys
2015-09-15
;
_cod_original_cell_volume        1856.8(2)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2000923
Methyl 8-[(2,6-dimethoxyphenyl)ethynyl]-7-methoxy-2-naphthoate
Prince, P.; Evans, K. L.; Fronczek, F. R.; Gandour, R. D.; Acta Crystallographica Section C 48 (1992) 936–938; doi:10.1107/S0108270191011277

data_2000924
_publ_section_title
;
 Methyl 8-[(2,6-dimethoxyphenyl)ethynyl]-7-methoxy-2-naphthoate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              936
_journal_page_last               938
_journal_paper_doi               10.1107/S0108270191011277
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C23 H20 O5'
_chemical_formula_weight         376.4
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.0784(8)
_cell_length_b                   12.1106(8)
_cell_length_c                   22.721(2)
_cell_volume                     1947.7(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.70
_exptl_crystal_density_diffrn    1.284
_exptl_crystal_F_000             792
_cod_data_source_file            st0538.cif
_cod_data_source_block           st0538a
_cod_original_cell_volume        1947.7(5)
_cod_database_code               2000924
Structure of 2-cyanobenzophenone
Preut, H.; Kolev, T.; Juchnovski, I.; Bleckmann, P.; Acta Crystallographica Section C 48 (1992) 938–940; doi:10.1107/S0108270191012544

data_2000925
_publ_section_title
;
 Structure of 2-cyanobenzophenone
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              938
_journal_page_last               940
_journal_paper_doi               10.1107/S0108270191012544
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C14 H9 N O'
_chemical_formula_weight         207.23
_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                 112.47(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.771(7)
_cell_length_b                   7.873(5)
_cell_length_c                   11.571(4)
_cell_volume                     1075.1(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.08
_exptl_crystal_density_diffrn    1.280
_exptl_crystal_F_000             432
_cod_data_source_file            al0513.cif
_cod_data_source_block           al0513a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        1075.0(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C14 H9 N1 O1'
_cod_database_code               2000925
Structure of [Ni(OH~2~)~2~(NH~2~CH~2~CH~2~CH~2~NH~2~)~2~][picrate]~2~
Clegg, W.; Bharadwaj, P. K.; Mandal, S.; Acta Crystallographica Section C 48 (1992) 942–943; doi:10.1107/S0108270191012672

data_2000926
_publ_section_title
;
 Structure of [Ni(OH~2~)~2~(NH~2~CH~2~CH~2~CH~2~NH~2~)~2~][picrate]~2~
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              942
_journal_page_last               943
_journal_paper_doi               10.1107/S0108270191012672
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H28 N10 Ni O16'
_chemical_formula_weight         699.2
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.606(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.2880(6)
_cell_length_b                   7.5741(3)
_cell_length_c                   22.6836(8)
_cell_volume                     2779.83(18)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    1.82
_exptl_crystal_density_diffrn    1.670
_exptl_crystal_density_meas      1.690(10)
_exptl_crystal_F_000             1448
_cod_data_source_file            al0511.cif
_cod_data_source_block           al0511a
_cod_original_cell_volume        2779.8
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_original_formula_sum        'C18 H28 N10 Ni1 O16'
_cod_database_code               2000926
Structure of isocorypalmine
Ribár, B.; Radivojević, P.; Gašić, O.; Kanyó, I.; Golič, L.; Acta Crystallographica Section C 48 (1992) 944–945; doi:10.1107/S0108270191011575

data_2000927
_publ_section_title
;
 Structure of isocorypalmine
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              944
_journal_page_last               945
_journal_paper_doi               10.1107/S0108270191011575
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C20 H23 N1 O4'
_chemical_formula_sum            'C20 H23 N O4'
_chemical_formula_weight         341.41
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   'P 32'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   10.1310(10)
_cell_length_b                   10.1310(10)
_cell_length_c                   14.913(3)
_cell_volume                     1325.6(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.083
_exptl_crystal_density_diffrn    1.283
_exptl_crystal_F_000             546
_cod_data_source_file            ka0008.cif
_cod_data_source_block           ka0008a
_cod_original_cell_volume        1325.5(6)
_cod_original_formula_sum        'C20 H23 N1 O4'
_cod_database_code               2000927
Structure of isocorydine
Ribár, B.; Lazar, D.; Gašić, O.; Kanyó, I.; Engel, P.; Acta Crystallographica Section C 48 (1992) 945–947; doi:10.1107/S0108270191011587

data_2000928
_publ_section_title
;
 Structure of isocorydine
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              945
_journal_page_last               947
_journal_paper_doi               10.1107/S0108270191011587
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C20 H23 N O4'
_chemical_formula_weight         341.41
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.536(5)
_cell_length_b                   9.926(8)
_cell_length_c                   23.397(16)
_cell_volume                     1750(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.084
_exptl_crystal_density_diffrn    1.296
_exptl_crystal_F_000             728
_cod_data_source_file            ka0010.cif
_cod_data_source_block           ka0010a
_cod_original_formula_sum        'C20 H23 N1 O4'
_cod_database_code               2000928
Structure of 3,3-diethyl-1,2-diphenyl-1,4,2-diazaphospholidine-5-one 2-oxide
Liu, X. L.; Sun, M.; Miao, F. M.; Feng, K. S.; Chen, R. Y.; Acta Crystallographica Section C 48 (1992) 947–949; doi:10.1107/S0108270191011678

data_2000929
_publ_section_title
;
 Structure of 3,3-diethyl-1,2-diphenyl-1,4,2-diazaphospholidine-5-one
 2-oxide
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              947
_journal_page_last               949
_journal_paper_doi               10.1107/S0108270191011678
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C18 H21 N2 O2 P1'
_chemical_formula_sum            'C18 H21 N2 O2 P'
_chemical_formula_weight         328.35
_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                 91.070(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.232(3)
_cell_length_b                   14.5610(10)
_cell_length_c                   12.446(3)
_cell_volume                     1672.8(7)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    1.54
_exptl_crystal_density_diffrn    1.304
_exptl_crystal_F_000             696
_cod_data_source_file            ab0242.cif
_cod_data_source_block           ab0242a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        1673(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C18 H21 N2 O2 P1'
_cod_database_code               2000929