LMucko/crystallography-open-database huggingface dataset:
Structure of choline picrate
Frydenvang, K.; Jensen, B.; Nielsen, K.; Acta Crystallographica Section C 48 (1992) 1343–1345; doi:10.1107/S0108270191014610

data_2000795
_publ_section_title
;
 Structure of choline picrate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1343
_journal_page_last               1345
_journal_paper_doi               10.1107/S0108270191014610
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C5 H14 N1 O1,C6 H2 N3 O7'
_chemical_formula_sum            'C11 H16 N4 O8'
_chemical_formula_weight         332.2
_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_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.500(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.7895(9)
_cell_length_b                   22.054(2)
_cell_length_c                   9.7130(10)
_cell_volume                     1414.2(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    1.116
_exptl_crystal_density_diffrn    1.561
_exptl_crystal_F_000             696
_cod_data_source_file            ab0260.cif
_cod_data_source_block           ab0260a
_cod_original_cell_volume        1414.2(5)
_cod_database_code               2000795
Structure of [<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylguanidinium(1+) pentachlorophenolate(1-) pentachlorophenol]~2~
Kanters, J. A.; ter Horst, E. H.; Grech, E.; Acta Crystallographica Section C 48 (1992) 1345–1347; doi:10.1107/S010827019101435X

data_2000796
_publ_section_title
;
 Structure of
 [<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylguanidinium(1+)
 pentachlorophenolate(1-) pentachlorophenol]~2~
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1345
_journal_page_last               1347
_journal_paper_doi               10.1107/S010827019101435X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C5 H14 N3,C6 Cl5 O1,C6 H1 Cl5 O1'
_chemical_formula_sum            'C17 H15 Cl10 N3 O2'
_chemical_formula_weight         647.85
_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_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.280(15)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.603(3)
_cell_length_b                   13.7397(6)
_cell_length_c                   23.717(5)
_cell_volume                     5084.4(15)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.112
_exptl_crystal_density_diffrn    1.693
_exptl_crystal_F_000             2592
_cod_data_source_file            ge0296.cif
_cod_data_source_block           ge0296a
_cod_database_code               2000796
Structure of Ni(H~2~O)~6~(NH~4~)~2~(PO~3~F)~2~
Berraho, M.; R'Kha, C.; Vegas, A.; Rafiq, M.; Acta Crystallographica Section C 48 (1992) 1350–1352; doi:10.1107/S0108270192003044

data_2000798
_publ_section_title
;
 Structure of Ni(H~2~O)~6~(NH~4~)~2~(PO~3~F)~2~
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1350
_journal_page_last               1352
_journal_paper_doi               10.1107/S0108270192003044
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'H12 Ni1 O6,2(H4 N1),2(F1 O3 P1)'
_chemical_formula_sum            'F2 H20 N2 Ni O12 P2'
_chemical_formula_weight         398.8
_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                 105.910(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.2920(10)
_cell_length_b                   12.3290(10)
_cell_length_c                   9.2330(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      17
_cell_measurement_theta_min      13
_cell_volume                     688.80(15)
_diffrn_measurement_device       'CAD4 four-circle'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0064
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2104
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        27
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.72
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.92
_exptl_crystal_description       Prismatic
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.54
_refine_diff_density_min         -0.71
_refine_ls_goodness_of_fit_obs   0.996
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     118
_refine_ls_number_reflns         1813
_refine_ls_R_factor_obs          0.030
_refine_ls_shift/esd_max         0.51
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;Applied by PESOS (Mart\'inez-Ripoll & Cano, 1980). The scheme is given in
attached Table.
;
_refine_ls_wR_factor_obs         0.034
_reflns_number_observed          1813
_reflns_number_total             1990
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            al1003.cif
_cod_data_source_block           al1003a
_cod_original_cell_volume        688.8(2)
_cod_original_formula_sum        'H20 F2 N2 Ni1 O12 P2'
_cod_database_code               2000798
Structure of an adduct between diammonium dihydrogendiphoshate and telluric acid: (NH~4~)~2~H~2~P~2~O~7~.Te(OH)~6~
Averbuch-Pouchot, M. T.; Durif, A.; Acta Crystallographica Section C 48 (1992) 973–975; doi:10.1107/S0108270191013604

data_2000805
_publ_section_title
;
 Structure of an adduct between diammonium dihydrogendiphoshate and
 telluric acid: (NH~4~)~2~H~2~P~2~O~7~.Te(OH)~6~
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              973
_journal_page_last               975
_journal_paper_doi               10.1107/S0108270191013604
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'H16 N2 O13 P2 Te'
_chemical_formula_weight         441.677
_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                 113.85(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.651(2)
_cell_length_b                   21.790(10)
_cell_length_c                   6.689(2)
_cell_volume                     1020.0(10)
_diffrn_radiation_type           Ag
_diffrn_radiation_wavelength     0.5608
_exptl_absorpt_coefficient_mu    1.766
_exptl_crystal_density_diffrn    2.876
_exptl_crystal_F_000             864
_cod_data_source_file            pa0258.cif
_cod_data_source_block           pa0258a
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'H16 N2 O13 P2 Te1'
_cod_database_code               2000805
Hydrothermal synthesis and structures of two layered dioxovanadium(V) phosphates <i>A</i>(VO~2~)PO~4~ (<i>A</i> = Ba, Sr)
Kang, H. Y.; Wang, S. L.; Lii, K. H.; Acta Crystallographica Section C 48 (1992) 975–978; doi:10.1107/S0108270191014038

data_2000806
_publ_section_title
;
 Hydrothermal synthesis and structures of two layered dioxovanadium(V)
 phosphates <i>A</i>(VO~2~)PO~4~ (<i>A</i> = Ba, Sr)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              975
_journal_page_last               978
_journal_paper_doi               10.1107/S0108270191014038
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'Ba1,O6 P1 V1'
_chemical_formula_sum            'Ba O6 P V'
_chemical_formula_weight         315.256
_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                 90.90(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.616(2)
_cell_length_b                   10.0620(10)
_cell_length_c                   8.7270(10)
_cell_volume                     493.09(19)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70930
_exptl_absorpt_coefficient_mu    10.049
_exptl_crystal_density_diffrn    4.247
_exptl_crystal_F_000             568
_cod_data_source_file            br0009.cif
_cod_data_source_block           br0009a
_cod_original_cell_volume        493.1(2)
_cod_original_formula_sum        'Ba O6 P1 V1'
_cod_database_code               2000806
Hydrothermal synthesis and structures of two layered dioxovanadium(V) phosphates <i>A</i>(VO~2~)PO~4~ (<i>A</i> = Ba, Sr)
Kang, H. Y.; Wang, S. L.; Lii, K. H.; Acta Crystallographica Section C 48 (1992) 975–978; doi:10.1107/S0108270191014038

data_2000807
_publ_section_title
;
 Hydrothermal synthesis and structures of two layered dioxovanadium(V)
 phosphates <i>A</i>(VO~2~)PO~4~ (<i>A</i> = Ba, Sr)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              975
_journal_page_last               978
_journal_paper_doi               10.1107/S0108270191014038
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'Sr1,O6 P1 V1'
_chemical_formula_sum            'O6 P Sr V'
_chemical_formula_weight         265.536
_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                 90.60(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4300(10)
_cell_length_b                   9.846(2)
_cell_length_c                   8.517(2)
_cell_volume                     455.33(16)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    13.645
_exptl_crystal_density_diffrn    3.873
_exptl_crystal_F_000             496
_cod_data_source_file            br0009.cif
_cod_data_source_block           br0009b
_cod_original_cell_volume        455.3(2)
_cod_original_formula_sum        'O6 P1 Sr1 V1'
_cod_database_code               2000807
Structure of Ba~3~(AsS~4~)~2~.7H~2~O at 125 K
Mereiter, K.; Preisinger, A.; Acta Crystallographica Section C 48 (1992) 984–987; doi:10.1107/S0108270191013938

data_2000808
_publ_section_title
;
 Structure of Ba~3~(AsS~4~)~2~.7H~2~O at 125 K
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              984
_journal_page_last               987
_journal_paper_doi               10.1107/S0108270191013938
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'As2 Ba3 H14 O7 S8'
_chemical_formula_weight         944.45
_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                 97.990(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.450(2)
_cell_length_b                   12.727(3)
_cell_length_c                   12.694(2)
_cell_volume                     1991.9(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     .71069
_exptl_absorpt_coefficient_mu    9.99
_exptl_crystal_density_diffrn    3.149
_exptl_crystal_F_000             1728
_cod_data_source_file            se0081.cif
_cod_data_source_block           se0081a
_cod_original_cell_volume        1991.8(8)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2000808
Structures of [1,4-bis(diphenylphosphino)butane]tetracarbonylchromium(0) (1) and [1,4-bis(diphenylphosphino)butane]tetracarbonyltungsten(0) (2)
Ueng, C.-H.; Shih, G.-Y.; Acta Crystallographica Section C 48 (1992) 988–991; doi:10.1107/S0108270191012404

data_2000809
_publ_section_title
;
 Structures of
 [1,4-bis(diphenylphosphino)butane]tetracarbonylchromium(0) (1) and
 [1,4-bis(diphenylphosphino)butane]tetracarbonyltungsten(0) (2)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              988
_journal_page_last               991
_journal_paper_doi               10.1107/S0108270191012404
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C32 H28 Cr O4 P2'
_chemical_formula_weight         590.3
_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_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.40(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.996(5)
_cell_length_b                   15.298(6)
_cell_length_c                   16.508(9)
_cell_volume                     2921(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7093
_exptl_absorpt_coefficient_mu    0.52
_exptl_crystal_density_diffrn    1.34
_exptl_crystal_F_000             1224
_cod_data_source_file            as0545.cif
_cod_data_source_block           as0545a
_cod_original_cell_volume        2921.0(10)
_cod_original_formula_sum        'C32 H28 Cr1 O4 P2'
_cod_database_code               2000809
Structures of [1,4-bis(diphenylphosphino)butane]tetracarbonylchromium(0) (1) and [1,4-bis(diphenylphosphino)butane]tetracarbonyltungsten(0) (2)
Ueng, C.-H.; Shih, G.-Y.; Acta Crystallographica Section C 48 (1992) 988–991; doi:10.1107/S0108270191012404

data_2000810
_publ_section_title
;
 Structures of
 [1,4-bis(diphenylphosphino)butane]tetracarbonylchromium(0) (1) and
 [1,4-bis(diphenylphosphino)butane]tetracarbonyltungsten(0) (2)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              988
_journal_page_last               991
_journal_paper_doi               10.1107/S0108270191012404
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C32 H28 O4 P2 W'
_chemical_formula_weight         722.4
_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_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.68(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.0550(10)
_cell_length_b                   15.352(5)
_cell_length_c                   16.544(4)
_cell_volume                     2961.8(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7093
_exptl_absorpt_coefficient_mu    4.12
_exptl_crystal_density_diffrn    1.62
_exptl_crystal_F_000             1424
_cod_data_source_file            as0545.cif
_cod_data_source_block           as0545b
_cod_original_cell_volume        2962(2)
_cod_original_formula_sum        'C32 H28 O4 P2 W1'
_cod_database_code               2000810
Synthesis and structure of dihydroxo(η^3^-2,2'-iminodiethoxo)germanium(IV)
Chiang, H.-C.; Lin, S.-M.; Ueng, C.-H.; Acta Crystallographica Section C 48 (1992) 991–993; doi:10.1107/S0108270191012398

data_2000811
_publ_section_title
;
 Synthesis and structure of
 dihydroxo(\h^3^-2,2'-iminodiethoxo)germanium(IV)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              991
_journal_page_last               993
_journal_paper_doi               10.1107/S0108270191012398
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C4 H11 Ge N O4'
_chemical_formula_weight         209.6
_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_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.87(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.161(2)
_cell_length_b                   12.251(4)
_cell_length_c                   11.266(3)
_cell_volume                     709.7(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7093
_exptl_absorpt_coefficient_mu    4.21
_exptl_crystal_density_diffrn    1.96
_exptl_crystal_F_000             424
_cod_data_source_file            as0538.cif
_cod_data_source_block           as0538a
_cod_depositor_comments
;

  Adding the _atom_site_type_symbol data item, to prevent confusion
  between hydrogen and holmium atom types.

  Saulius Gra\<zulis
  2013-10-17
;
_cod_original_cell_volume        709.8(3)
_cod_original_formula_sum        'C4 H11 Ge1 N1 O4'
_cod_database_code               2000811
Structures of adducts formed by indium(III) halides and phosphine ligands: tris[1,2-bis(diphenylphosphino)ethane]bis[triiodoindium(III)] and trichlorobis(trimethylphosphine)indium(III)
Degnan, I. A.; Alcock, N. W.; Roe, S. M.; Wallbridge, M. G. H.; Acta Crystallographica Section C 48 (1992) 995–999; doi:10.1107/S0108270191013033

data_2000812
_publ_section_title
;
 Structures of adducts formed by indium(III) halides and phosphine
 ligands: tris[1,2-bis(diphenylphosphino)ethane]bis[triiodoindium(III)]
 and trichlorobis(trimethylphosphine)indium(III)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              995
_journal_page_last               999
_journal_paper_doi               10.1107/S0108270191013033
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C78 H72 I6 In2 P6'
_chemical_formula_weight         2186.4
_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                76.59(4)
_cell_angle_beta                 86.72(4)
_cell_angle_gamma                79.34(4)
_cell_formula_units_Z            1
_cell_length_a                   12.583(7)
_cell_length_b                   12.667(8)
_cell_length_c                   13.080(8)
_cell_volume                     1993(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    3.03
_exptl_crystal_density_diffrn    1.82
_exptl_crystal_F_000             1046
_cod_data_source_file            li0104.cif
_cod_data_source_block           li0104a
_cod_database_code               2000812
Structures of adducts formed by indium(III) halides and phosphine ligands: tris[1,2-bis(diphenylphosphino)ethane]bis[triiodoindium(III)] and trichlorobis(trimethylphosphine)indium(III)
Degnan, I. A.; Alcock, N. W.; Roe, S. M.; Wallbridge, M. G. H.; Acta Crystallographica Section C 48 (1992) 995–999; doi:10.1107/S0108270191013033

data_2000813
_publ_section_title
;
 Structures of adducts formed by indium(III) halides and phosphine
 ligands: tris[1,2-bis(diphenylphosphino)ethane]bis[triiodoindium(III)]
 and trichlorobis(trimethylphosphine)indium(III)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              995
_journal_page_last               999
_journal_paper_doi               10.1107/S0108270191013033
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C6 H18 Cl3 In P2'
_chemical_formula_weight         373.3
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.418(8)
_cell_length_b                   10.769(9)
_cell_length_c                   13.808(9)
_cell_volume                     1549(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.19
_exptl_crystal_density_diffrn    1.6
_exptl_crystal_F_000             736
_cod_data_source_file            li0104.cif
_cod_data_source_block           li0104b
_cod_original_formula_sum        'C6 H18 Cl3 In1 P2'
_cod_database_code               2000813
Structural characterization of 1,1,1,2,2,2,3,3,3-nonacarbonyl-1,2-μ-iodo-1,2,3-[μ~3~-(phenylpyridylphosphido)-μ-<i>P</i>,<i>N</i>]-<i>triangulo</i>-triruthenium
Lugan, N.; Lavigne, G.; Bonnet, J.-J.; Acta Crystallographica Section C 48 (1992) 999–1002; doi:10.1107/S010827019101260X

data_2000814
_publ_section_title
;Structural characterization of
 1,1,1,2,2,2,3,3,3-nonacarbonyl-1,2-\m-iodo-1,2,3-[\m~3~-(phenylpyridylphosphido)-\m-<i>P</i>,<i>N</i>]-<i>triangulo</i>-triruthenium
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              999
_journal_page_last               1002
_journal_paper_doi               10.1107/S010827019101260X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C20 H9 I N O9 P Ru3'
_chemical_formula_weight         868.4
_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                 97.94(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.0580(10)
_cell_length_b                   14.182(3)
_cell_length_c                   17.988(3)
_cell_volume                     2541.3(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    3.040
_exptl_crystal_density_diffrn    2.269
_exptl_crystal_F_000             1632
_cod_data_source_file            pa0254.cif
_cod_data_source_block           pa0254a
_cod_original_cell_volume        2541
_cod_original_formula_sum        'C20 H9 I1 N1 O9 P1 Ru3'
_cod_database_code               2000814