LMucko/crystallography-open-database huggingface dataset:
Structure du diammonium-1,3 propane bis(dihydrogénomonophosphate)
Kamoun, S.; Jouini, A.; Daoud, A.; Durif, A.; Guitel, J. C.; Acta Crystallographica, Section C: Crystal Structure Communications 48 (1992) 133–135; doi:10.1107/s0108270191008077

data_2000090
_publ_section_title
;
 Structure du diammonium-1,3 propane bis(dihydrog\'enomonophosphate)
;
_journal_issue                   1
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              133
_journal_page_last               135
_journal_paper_doi               10.1107/s0108270191008077
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C3 H16 N2 O8 P2'
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 129.14(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.543(3)
_cell_length_b                   4.561(4)
_cell_length_c                   15.342(3)
_cell_volume                     1006.383
_exptl_crystal_density_diffrn    1.782
_refine_ls_R_factor_gt           0.027
_refine_ls_wR_factor_gt          0.027
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               2000090
Synthesis and crystal structure of ethylenediammonium dihydrogen diphosphate
Averbuch-Pouchot, M.-T.; Durif, A.; Comptes Rendus de l'Academie des Sciences, Serie II: Mecanique, Physique, Chimie, Sciences de la Terre et de l'Univers 316 (1993) 187–192; doi:

data_2000091
_publ_section_title
;
 Synthesis and crystal structure of ethylenediammonium dihydrogen diphosphate
;
_journal_coden_ASTM              CRAMED
_journal_issue                   2
_journal_name_full
;
 Comptes Rendus de l'Academie des Sciences, Serie II: Mecanique, Physique,
 Chimie, Sciences de la Terre et de l'Univers
;
_journal_page_first              187
_journal_page_last               192
_journal_volume                  316
_journal_year                    1993
_chemical_formula_sum            'C2 H12 N2 O7 P2'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.56(4)
_cell_angle_beta                 102.58(3)
_cell_angle_gamma                90.25(6)
_cell_formula_units_Z            2
_cell_length_a                   9.965(9)
_cell_length_b                   7.666(5)
_cell_length_c                   6.117(7)
_cell_volume                     446.255
_refine_ls_R_factor_gt           0.034
_refine_ls_wR_factor_gt          0.034
_cod_database_code               2000091
Synthesis and crystal structure of (o-CH~3~C~6~H~4~NH~3~)~6~P~6~O~18~ · 2H~2~O
Larafa, K.; Mahjoub, A.; Rzaigui, M.; Durif, A.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 481–494; doi:

data_2000092
_publ_section_title
;
 Synthesis and crystal structure of
 (o-CH~3~C~6~H~4~NH~3~)~6~P~6~O~18~ &#x00B7; 2H~2~O
;
_journal_coden_ASTM              EJSCE5
_journal_issue                   5
_journal_name_full
;
 European Journal of Solid State and Inorganic Chemistry
;
_journal_page_first              481
_journal_page_last               494
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'C42 H64 N6 O20 P6'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.98(3)
_cell_angle_beta                 91.62(3)
_cell_angle_gamma                116.65(3)
_cell_formula_units_Z            1
_cell_length_a                   10.395(4)
_cell_length_b                   10.793(5)
_cell_length_c                   13.839(4)
_cell_volume                     1329.776
_diffrn_ambient_temperature      ?
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_description       prisms
_refine_ls_R_factor_gt           0.036
_refine_ls_wR_factor_gt          0.036
_cod_database_code               2000092
Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions
Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.; The Journal of Organic Chemistry 64 (1999) 3492–3497; doi:10.1021/jo982245o

data_2000093
_publ_section_title
;
 Synthesis and Characterization of New Binuclear Co(0) Complexes with
 Diphosphinoamine Ligands. A Potential Approach for Asymmetric
 Pauson-Khand Reactions
;
_journal_coden_ASTM              JOCEAH
_journal_issue                   10
_journal_name_full               'The Journal of Organic Chemistry'
_journal_page_first              3492
_journal_page_last               3497
_journal_paper_doi               10.1021/jo982245o
_journal_volume                  64
_journal_year                    1999
_chemical_formula_sum            'C17 H19 N5 P2'
_chemical_melting_point          389.15
_space_group_IT_number           14
_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                 98.74(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.594(3)
_cell_length_b                   17.346(4)
_cell_length_c                   14.106(2)
_cell_volume                     1836.544
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.28
_refine_ls_R_factor_gt           0.033
_refine_ls_wR_factor_gt          0.033
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-10
;
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2000093
Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions
Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.; The Journal of Organic Chemistry 64 (1999) 3492–3497; doi:10.1021/jo982245o

data_2000094
_publ_section_title
;
 Synthesis and Characterization of New Binuclear Co(0) Complexes with
 Diphosphinoamine Ligands. A Potential Approach for Asymmetric
 Pauson-Khand Reactions
;
_journal_coden_ASTM              JOCEAH
_journal_issue                   10
_journal_name_full               'The Journal of Organic Chemistry'
_journal_page_first              3492
_journal_page_last               3497
_journal_paper_doi               10.1021/jo982245o
_journal_volume                  64
_journal_year                    1999
_chemical_formula_sum            'C37 H28 Co2 O4 P2'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.87(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   40.127(6)
_cell_length_b                   12.434(3)
_cell_length_c                   14.716(2)
_cell_volume                     7333.179
_diffrn_ambient_temperature      ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.3
_refine_ls_R_factor_gt           0.034
_refine_ls_wR_factor_gt          0.034
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-10
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2000094
Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions
Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.; The Journal of Organic Chemistry 64 (1999) 3492–3497; doi:10.1021/jo982245o

data_2000095
_publ_section_title
;
 Synthesis and Characterization of New Binuclear Co(0) Complexes with
 Diphosphinoamine Ligands. A Potential Approach for Asymmetric
 Pauson-Khand Reactions
;
_journal_coden_ASTM              JOCEAH
_journal_issue                   10
_journal_name_full               'The Journal of Organic Chemistry'
_journal_page_first              3492
_journal_page_last               3497
_journal_paper_doi               10.1021/jo982245o
_journal_volume                  64
_journal_year                    1999
_chemical_formula_sum            'C37 H29 Co2 N O4 P2'
_space_group_IT_number           14
_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                 110.70(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.128(5)
_cell_length_b                   14.927(6)
_cell_length_c                   17.277(9)
_cell_volume                     3408.312
_diffrn_ambient_temperature      ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.425
_refine_ls_R_factor_gt           0.037
_refine_ls_wR_factor_gt          0.037
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-10
;
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C37 H29 Co2 N1 O4 P2'
_cod_database_code               2000095
Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions
Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.; The Journal of Organic Chemistry 64 (1999) 3492–3497; doi:10.1021/jo982245o

data_2000096
_publ_section_title
;
 Synthesis and Characterization of New Binuclear Co(0) Complexes with
 Diphosphinoamine Ligands. A Potential Approach for Asymmetric
 Pauson-Khand Reactions
;
_journal_coden_ASTM              JOCEAH
_journal_issue                   10
_journal_name_full               'The Journal of Organic Chemistry'
_journal_page_first              3492
_journal_page_last               3497
_journal_paper_doi               10.1021/jo982245o
_journal_volume                  64
_journal_year                    1999
_chemical_formula_sum            'C13 H9 Co2 F4 N O4 P2'
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_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                   7.166(2)
_cell_length_b                   9.205(3)
_cell_length_c                   28.231(9)
_cell_volume                     1862.202
_diffrn_ambient_temperature      ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.78
_refine_ls_R_factor_gt           0.04
_refine_ls_wR_factor_gt          0.04
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-10
;
_cod_original_formula_sum        'C13 H9 Co2 F4 N1 O4 P2'
_cod_database_code               2000096
Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions
Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.; The Journal of Organic Chemistry 64 (1999) 3492–3497; doi:10.1021/jo982245o

data_2000097
_publ_section_title
;
 Synthesis and Characterization of New Binuclear Co(0) Complexes with
 Diphosphinoamine Ligands. A Potential Approach for Asymmetric
 Pauson-Khand Reactions
;
_journal_coden_ASTM              JOCEAH
_journal_issue                   10
_journal_name_full               'The Journal of Organic Chemistry'
_journal_page_first              3492
_journal_page_last               3497
_journal_paper_doi               10.1021/jo982245o
_journal_volume                  64
_journal_year                    1999
_chemical_formula_sum            'C25 H13 Co2 F24 N O8 P2'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                111.07(4)
_cell_angle_beta                 98.14(2)
_cell_angle_gamma                76.85(3)
_cell_formula_units_Z            2
_cell_length_a                   10.611(2)
_cell_length_b                   12.401(6)
_cell_length_c                   15.960(4)
_cell_volume                     1904.192
_diffrn_ambient_temperature      ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.9
_refine_ls_R_factor_gt           0.039
_refine_ls_wR_factor_gt          0.039
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-10
;
_cod_original_formula_sum        'C25 H13 Co2 F24 N1 O8 P2'
_cod_database_code               2000097
Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions
Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.; The Journal of Organic Chemistry 64 (1999) 3492–3497; doi:10.1021/jo982245o

data_2000098
_publ_section_title
;
 Synthesis and Characterization of New Binuclear Co(0) Complexes with
 Diphosphinoamine Ligands. A Potential Approach for Asymmetric
 Pauson-Khand Reactions
;
_journal_coden_ASTM              JOCEAH
_journal_issue                   10
_journal_name_full               'The Journal of Organic Chemistry'
_journal_page_first              3492
_journal_page_last               3497
_journal_paper_doi               10.1021/jo982245o
_journal_volume                  64
_journal_year                    1999
_chemical_formula_sum            'C29 H25 Co2 N5 O4 P2'
_space_group_IT_number           14
_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                 111.54(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.148(4)
_cell_length_b                   13.928(4)
_cell_length_c                   17.126(3)
_cell_volume                     3139.049
_diffrn_ambient_temperature      ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.45
_refine_ls_R_factor_gt           0.021
_refine_ls_wR_factor_gt          0.021
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-10
;
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2000098
Paramagnetic NMR Investigations of High-Spin Nickel(II) Complexes. Controlled Synthesis, Structural, Electronic, and Magnetic Properties of Dinuclear vs Mononuclear Species
Catherine Belle; Catherine Bougault; Marie-Thérèse Averbuch; André Durif; Jean-Louis Pierre; Jean-Marc Latour; Laurent Le Pape; Journal of the American Chemical Society 123 (2001) 8053–8066; doi:10.1021/ja010342k

data_2000099
_publ_section_title
;
Paramagnetic NMR Investigations of High-Spin Nickel(II) Complexes.
Controlled Synthesis, Structural, Electronic, and Magnetic Properties of
Dinuclear vs Mononuclear Species
;
_journal_issue                   33
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8053
_journal_page_last               8066
_journal_paper_doi               10.1021/ja010342k
_journal_volume                  123
_journal_year                    2001
_chemical_formula_sum            'C94.5 H96.5 B2 N6.5 Ni2 O7 S2'
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.30(2)
_cell_angle_beta                 104.07(2)
_cell_angle_gamma                102.37(2)
_cell_formula_units_Z            4
_cell_length_a                   18.128(7)
_cell_length_b                   20.224(7)
_cell_length_c                   26.221(9)
_cell_volume                     8790.670
_diffrn_ambient_temperature      293.0
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.238
_refine_ls_R_factor_gt           0.0576
_refine_ls_wR_factor_gt          0.0576
_cod_database_code               2000099
A Phenoxo-Bridged Digallium(III) Complex with a Ligand Derived from 2,6-Bis{[N,N'-bis(carboxymethyl)amino]methyl}-4-methylphenol
Jarjayes, O.; Du Moulinet D'Hardemare, A.; Durif, A.; Averbuch-Pouchot, M.-T.; Acta Crystallographica, Section C: Crystal Structure Communications 54 (1998) 931–933; doi:10.1107/s0108270198000912

data_2000100
_publ_section_title
;
 A Phenoxo-Bridged Digallium(III) Complex with a Ligand Derived from
 2,6-Bis{[N,N'-bis(carboxymethyl)amino]methyl}-4-methylphenol
;
_journal_issue                   7
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              931
_journal_page_last               933
_journal_paper_doi               10.1107/s0108270198000912
_journal_volume                  54
_journal_year                    1998
_chemical_formula_sum            'C17 H35 Ga2 N2 O18.5'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                100.05(2)
_cell_angle_beta                 107.65(3)
_cell_angle_gamma                90.24(2)
_cell_formula_units_Z            2
_cell_length_a                   10.108(2)
_cell_length_b                   10.925(2)
_cell_length_c                   13.061(6)
_cell_volume                     1350.832
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.728
_refine_ls_R_factor_gt           0.035
_refine_ls_wR_factor_gt          0.035
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-08

 Marking atom 'O19' as having the occupancy of 0.5 after consulting the
 original publication.

 Antanas Vaitkus,
 2017-08-08
;
_cod_database_code               2000100
Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions
Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.; The Journal of Organic Chemistry 64 (1999) 3492–3497; doi:10.1021/jo982245o

data_2000101
_publ_section_title
;
 Synthesis and Characterization of New Binuclear Co(0) Complexes with
 Diphosphinoamine Ligands. A Potential Approach for Asymmetric
 Pauson-Khand Reactions
;
_journal_coden_ASTM              JOCEAH
_journal_issue                   10
_journal_name_full               'The Journal of Organic Chemistry'
_journal_page_first              3492
_journal_page_last               3497
_journal_paper_doi               10.1021/jo982245o
_journal_volume                  64
_journal_year                    1999
_chemical_formula_sum            'C25 H23 N P2'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.06(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.091(6)
_cell_length_b                   10.002(2)
_cell_length_c                   11.524(3)
_cell_volume                     1123.171
_diffrn_ambient_temperature      ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.181
_refine_ls_R_factor_gt           0.032
_refine_ls_wR_factor_gt          0.032
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-10
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C25 H23 N1 P2'
_cod_database_code               2000101
Crystal structure of 7-nitro-1(2'-deoxy-β-D-ribofuranosyl)-indole, C~13~H~14~N~2~O~5~
Averbuch-Pouchot, M.-T.; Bourdat, A.-G.; Defrancq, E.; Durif, A.; Kotera, M.; Lhomme, J.; Zeitschrift für Kristallographie - New Crystal Structures 213 (1998) 181–182; doi:10.1524/ncrs.1998.213.14.181

data_2000102
_publ_section_title
;
 Crystal structure of 7-nitro-1(2'-deoxy-\b-D-ribofuranosyl)-indole,
 C~13~H~14~N~2~O~5~
;
_journal_issue                   1-4
_journal_name_full
;
 Zeitschrift f\"ur Kristallographie - New Crystal Structures
;
_journal_page_first              181
_journal_page_last               182
_journal_paper_doi               10.1524/ncrs.1998.213.14.181
_journal_volume                  213
_journal_year                    1998
_chemical_formula_sum            'C13 H14 N2 O5'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 126.7(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.897(4)
_cell_length_b                   4.748(1)
_cell_length_c                   12.888(4)
_cell_volume                     632.758
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.461
_exptl_crystal_description       'stout rectangular prism'
_refine_ls_R_factor_gt           0.0302
_refine_ls_wR_factor_gt          0.0302
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2000102
Ethylenediammonium bis[Copper(II) Monohydrogendiphosphate Ethylenediamine] Trihydrate
Gharbi, A.; Jouini, A.; Averbuch-Pouchot, M. T.; Durif, A.; Journal of Solid State Chemistry 111 (1994) 330–337; doi:10.1006/jssc.1994.1235

data_2000103
_publ_section_title
;
 Ethylenediammonium bis[Copper(II) Monohydrogendiphosphate Ethylenediamine]
 Trihydrate
;
_journal_issue                   2
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              330
_journal_page_last               337
_journal_paper_doi               10.1006/jssc.1994.1235
_journal_volume                  111
_journal_year                    1994
_chemical_formula_sum            'C6 H34 Cu2 N6 O17 P4'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.63(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.808(8)
_cell_length_b                   9.631(2)
_cell_length_c                   14.019(8)
_cell_volume                     2391.814
_diffrn_ambient_temperature      ?
_exptl_crystal_colour            'dark blue'
_exptl_crystal_density_diffrn    1.981
_refine_ls_R_factor_gt           0.036
_refine_ls_wR_factor_gt          0.036
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2000103