LMucko/crystallography-open-database huggingface dataset:
Structure of Polymeric Carbon Dioxide CO~2~-V
Datchi, Frédéric; Mallick, Bidyut; Salamat, Ashkan; Ninet, Sandra; Physical Review Letters 108 (2012) 125701–; doi:10.1103/physrevlett.108.125701

data_1517802
_publ_section_title
;
 Structure of Polymeric Carbon Dioxide CO~2~-V
;
_journal_coden_ASTM              PRLTAO
_journal_issue                   12
_journal_name_full               'Physical Review Letters'
_journal_page_first              125701
_journal_paper_doi               10.1103/physrevlett.108.125701
_journal_volume                  108
_journal_year                    2012
_chemical_formula_iupac          CO2
_chemical_formula_sum            'C O2'
_chemical_formula_weight         44.01
_space_group_IT_number           122
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   3.5518(5)
_cell_length_b                   3.5518(5)
_cell_length_c                   5.9184(9)
_cell_measurement_temperature    295
_cell_volume                     74.662(19)
_computing_data_collection       Fit2D
_computing_publication_material  publCIF
_computing_structure_refinement  FULLPROF
_computing_structure_solution    Endeavour
_diffrn_detector                 'Mar CCD'
_diffrn_detector_type            'Mar CCD'
_diffrn_measurement_device_type  'ESRF ID27'
_diffrn_radiation_type           X-ray
_diffrn_source                   ESRF
_pd_meas_2theta_range_inc        0.018124
_pd_meas_2theta_range_max        22.62100
_pd_meas_2theta_range_min        6.16443
_pd_meas_number_of_points        910
_pd_meas_scan_method             cont
_pd_prep_pressure                40800000
_pd_prep_temperature             295
_pd_proc_2theta_range_inc        0.018124
_pd_proc_2theta_range_max        22.6177
_pd_proc_2theta_range_min        6.1611
_pd_proc_info_excluded_regions   10<2\q<10.8
_pd_proc_ls_background_function  interpolation
_pd_proc_ls_pref_orient_corr     None
_pd_proc_ls_profile_function
'Thompson-Cox-Hastings pseudo-Voigt * Axial divergence asymmetry'
_pd_proc_ls_prof_R_factor        0.3032
_pd_proc_ls_prof_wR_expected     2.7535
_pd_proc_ls_prof_wR_factor       0.6072
_pd_proc_wavelength              0.373800
_pd_spec_mounting                'diamond anvil cell'
_pd_spec_mount_mode              transmission
_refine_ls_number_parameters     37
_refine_ls_number_reflns         18
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            3.6822
_cod_data_source_file            Datchi-CO2V.cif
_cod_data_source_block           CO2
_cod_depositor_comments
;Title correction

 Author correction
;
_cod_original_cell_volume        74.662(20)
_cod_database_code               1517802
_publcif_datablock.id            {52c08fc7-6772-483d-9800-8d70d2a054b7}
_pd_proc_ls_prof_cr_factor       19.3679
_pd_proc_ls_prof_cwr_factor      8.6486
_pd_proc_ls_prof_cwr_expected    39.2175
_pd_proc_ls_prof_chi2            0.0486
_pd_proc_ls_prof_echi2           0.0612
Das erste oxoferrat(I): zur konstitution von K3[FeO2] und K3[NiO2]
Bernhardt, F.; Hoppe, R.; Zeitschrift fur Anorganische und Allgemeine Chemie 619 (1993) 969–975; doi:

data_1517825
_publ_section_title
;
 Das erste oxoferrat(I): zur konstitution von K3[FeO2] und K3[NiO2]
;
_journal_name_full
'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_page_first              969
_journal_page_last               975
_journal_volume                  619
_journal_year                    1993
_chemical_formula_moiety         'Fe O2, 3(K)'
_chemical_formula_sum            'Fe K3 O2'
_chemical_formula_weight         205.15
_space_group_IT_number           92
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.041(3)
_cell_length_b                   6.041(3)
_cell_length_c                   14.068(7)
_cell_volume                     513.4(4)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    5.224
_exptl_crystal_density_diffrn    2.654
_exptl_crystal_F_000             396
_refine_ls_number_parameters     30
_refine_ls_number_reflns         731
_refine_ls_R_factor_gt           0.0576
_refine_ls_wR_factor_gt          0.0533
_cod_data_source_file            K3FeO2.cif
_cod_data_source_block           K3FeO2
_cod_original_cell_volume        513.4(6)
_cod_database_code               1517825
Das erste oxoferrat(I): zur konstitution von K3[FeO2] und K3[NiO2]
Bernhardt, F.; Hoppe, R.; Zeitschrift fur Anorganische und Allgemeine Chemie 619 (1993) 969–975; doi:

data_1517826
_publ_section_title
;
 Das erste oxoferrat(I): zur konstitution von K3[FeO2] und K3[NiO2]
;
_journal_name_full
'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_page_first              969
_journal_page_last               975
_journal_volume                  619
_journal_year                    1993
_chemical_formula_moiety         'Ni O2, 3(K)'
_chemical_formula_sum            'K3 Ni O2'
_chemical_formula_weight         208.0
_space_group_IT_number           92
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.036(1)
_cell_length_b                   6.036(1)
_cell_length_c                   14.059(5)
_cell_volume                     512.2(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_refine_ls_number_parameters     30
_refine_ls_number_reflns         755
_refine_ls_R_factor_gt           0.0870
_refine_ls_wR_factor_gt          0.0425
_cod_data_source_file            K3NiO2.cif
_cod_data_source_block           K3NiO2
_cod_database_code               1517826
Synthese und kristallstruktur einer neuen hexagonalen modifikation con Al2S3 mit funffach koordiniertem aluminium
Krebs, Bernt; Schiemann, Anke; Lage, Mechtild; Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 983–988; doi:

data_1517832
_publ_section_title
;
 Synthese und kristallstruktur einer neuen hexagonalen modifikation con
 Al2S3 mit funffach koordiniertem aluminium
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              983
_journal_page_last               988
_journal_volume                  619
_journal_year                    1993
_chemical_formula_moiety         'Al2 S3'
_chemical_formula_sum            'Al2 S3'
_chemical_formula_weight         150.17
_chemical_name_common            alpha-Al2S3
_space_group_IT_number           169
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      169
_symmetry_space_group_name_Hall  'P 61'
_symmetry_space_group_name_H-M   'P 61'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   6.438(1)
_cell_length_b                   6.438(1)
_cell_length_c                   17.898(4)
_cell_volume                     642.4(2)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.918
_exptl_crystal_density_diffrn    2.329
_exptl_crystal_F_000             444
_refine_ls_number_parameters     45
_refine_ls_number_reflns         770
_refine_ls_R_factor_gt           0.0371
_refine_ls_wR_factor_gt          0.0359
_cod_data_source_file            Al2S3-alpha.cif
_cod_data_source_block           Al2S3-alpha
_cod_original_cell_volume        642.5(3)
_cod_database_code               1517832
Synthese und kristallstruktur einer neuen hexagonalen modifikation con Al2S3 mit funffach koordiniertem aluminium
Krebs, Bernt; Schiemann, Anke; Lage, Mechtild; Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 983–988; doi:

data_1517833
_publ_section_title
;
 Synthese und kristallstruktur einer neuen hexagonalen modifikation con
 Al2S3 mit funffach koordiniertem aluminium
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              983
_journal_page_last               988
_journal_volume                  619
_journal_year                    1993
_chemical_formula_moiety         'Al2 S3'
_chemical_formula_sum            'Al2 S3'
_chemical_formula_weight         150.17
_chemical_name_common            Al2S3-tbp
_space_group_IT_number           169
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      169
_symmetry_space_group_name_Hall  'P 61'
_symmetry_space_group_name_H-M   'P 61'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   6.491(1)
_cell_length_b                   6.491(1)
_cell_length_c                   17.169(4)
_cell_volume                     626.5(2)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.967
_exptl_crystal_density_diffrn    2.388
_exptl_crystal_F_000             444
_refine_ls_number_parameters     45
_refine_ls_number_reflns         854
_refine_ls_R_factor_gt           0.0253
_refine_ls_wR_factor_gt          0.0328
_cod_data_source_file            Al2S3-tbp.cif
_cod_data_source_block           Al2S3-tbp
_cod_original_cell_volume        626.5(3)
_cod_database_code               1517833
Neue halogenozinkate(II) M[I]2ZnX4 (M[I] = Li, Na; X = Cl, ,Br) mit olivinstruktur
Pfitzner, A.; Cockcroft, J. K.; Solinas, I.; Litz, H. D.; Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 993–998; doi:

data_1517836
_publ_section_title
;
 Neue halogenozinkate(II) M[I]2ZnX4 (M[I] = Li, Na; X = Cl, ,Br) mit
 olivinstruktur
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              993
_journal_page_last               998
_journal_volume                  619
_journal_year                    1993
_chemical_formula_moiety         'Br4 Zn, 2(Li)'
_chemical_formula_sum            'Br4 Li2 Zn'
_chemical_formula_weight         398.87
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_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                   13.6041(4)
_cell_length_b                   7.8847(2)
_cell_length_c                   6.4707(2)
_cell_volume                     694.07(3)
_computing_structure_refinement  Rietveld
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.594
_exptl_crystal_density_diffrn    3.817
_exptl_crystal_F_000             116
_pd_proc_ls_prof_wR_expected     6.95
_pd_proc_ls_prof_wR_factor       7.43
_refine_ls_R_I_factor            9.07
_cod_data_source_file            Li2ZnBr4.cif
_cod_data_source_block           Li2ZnBr4
_cod_original_cell_volume        694.08(3)
_cod_database_code               1517836
Neue halogenozinkate(II) M[I]2ZnX4 (M[I] = Li, Na; X = Cl, ,Br) mit olivinstruktur
Pfitzner, A.; Cockcroft, J. K.; Solinas, I.; Litz, H. D.; Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 993–998; doi:

data_1517837
_publ_section_title
;
 Neue halogenozinkate(II) M[I]2ZnX4 (M[I] = Li, Na; X = Cl, ,Br) mit
 olivinstruktur
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              993
_journal_page_last               998
_journal_volume                  619
_journal_year                    1993
_chemical_formula_moiety         'Cl4 Zn, 2(Li)'
_chemical_formula_sum            'Cl4 Li2 Zn'
_chemical_formula_weight         221.07
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_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                   12.7760(3)
_cell_length_b                   7.4176(2)
_cell_length_c                   6.1110(1)
_cell_volume                     579.12(2)
_computing_structure_refinement  Rietveld
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.594
_exptl_crystal_density_diffrn    2.536
_exptl_crystal_F_000             161
_pd_proc_ls_prof_wR_expected     8.12
_pd_proc_ls_prof_wR_factor       5.28
_refine_ls_R_I_factor            7.63
_cod_data_source_file            Li2ZnCl4.cif
_cod_data_source_block           Li2ZnCl4
_cod_database_code               1517837
Neue halogenozinkate(II) M[I]2ZnX4 (M[I] = Li, Na; X = Cl, ,Br) mit olivinstruktur
Pfitzner, A.; Cockcroft, J. K.; Solinas, I.; Litz, H. D.; Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 993–998; doi:

data_1517838
_publ_section_title
;
 Neue halogenozinkate(II) M[I]2ZnX4 (M[I] = Li, Na; X = Cl, ,Br) mit
 olivinstruktur
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              993
_journal_page_last               998
_journal_volume                  619
_journal_year                    1993
_chemical_formula_moiety         'Br4 Zn, 2(Na)'
_chemical_formula_sum            'Br4 Na2 Zn'
_chemical_formula_weight         430.97
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_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                   14.4631(5)
_cell_length_b                   8.5302(3)
_cell_length_c                   6.7661(2)
_cell_volume                     834.75(5)
_computing_structure_refinement  Rietveld
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.594
_exptl_crystal_density_diffrn    3.429
_exptl_crystal_F_000             161
_pd_proc_ls_prof_wR_expected     6.94
_pd_proc_ls_prof_wR_factor       5.73
_refine_ls_R_I_factor            9.29
_cod_data_source_file            Na2ZnBr4.cif
_cod_data_source_block           Na2ZnBr4
_cod_original_cell_volume        834.76(5)
_cod_database_code               1517838
[W(NPPh3)4]Cl2 - ein phosphaniminato-komplex mit einem wolfram-dikation
Rentschler, Eva; Nubhar, Dirk; Weller, Frank; Dehnicke, Kurt; Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 999–1003; doi:

data_1517840
_publ_section_title
;
 [W(NPPh3)4]Cl2 - ein phosphaniminato-komplex mit einem wolfram-dikation
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              999
_journal_page_last               1003
_journal_volume                  619
_journal_year                    1993
_chemical_formula_sum            'C72 H60 Cl2 N4 P4 W'
_chemical_formula_weight         1359.95
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 101.09(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.065(2)
_cell_length_b                   22.253(2)
_cell_length_c                   24.210(3)
_cell_volume                     6378.6(15)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.038
_exptl_crystal_density_diffrn    1.353
_exptl_crystal_F_000             2512
_refine_ls_number_reflns         4424
_refine_ls_R_factor_gt           0.045
_cod_data_source_file            WC72.cif
_cod_data_source_block           WC72H60N4P4Cl2
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1517840
Synthese sowie kristall- und molekulstruktur von tetrafluoro[2-(pyrrolidinio)ethyl]silicat
Tacke, R.; Lopez-Mras, A.; Becht, J.; Sheldrick, W. S.; Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 1012–1016; doi:

data_1517841
_publ_section_title
;
 Synthese sowie kristall- und molekulstruktur von
 tetrafluoro[2-(pyrrolidinio)ethyl]silicat
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1012
_journal_page_last               1016
_journal_volume                  619
_journal_year                    1993
_chemical_formula_sum            'C6 H13 F4 N Si'
_chemical_formula_weight         203.3
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 100.15(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.690(3)
_cell_length_b                   9.903(4)
_cell_length_c                   11.827(4)
_cell_volume                     886.6(6)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.69
_exptl_crystal_density_diffrn    1.523
_exptl_crystal_F_000             424
_refine_ls_number_parameters     162
_refine_ls_number_reflns         1195
_refine_ls_R_factor_gt           0.036
_refine_ls_wR_factor_gt          0.035
_cod_data_source_file            SiF4C6H5N.cif
_cod_data_source_block           SiF4C6N
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1517841
The Structure of Whewellite, CaC~2~O~4~ . H~2~O, at 328 K
Deganello, S; Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 37 (1981) 826–829; doi:10.1107/s056774088100441x

data_2105964
_publ_section_title
;
 The Structure of Whewellite, CaC~2~O~4~ . H~2~O, at 328 K
;
_journal_coden_ASTM              ACBCAR
_journal_issue                   4
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Crystallography and Crystal
 Chemistry
;
_journal_page_first              826
_journal_page_last               829
_journal_paper_doi               10.1107/s056774088100441x
_journal_volume                  37
_journal_year                    1981
_chemical_formula_moiety         'C2 H2 Ca O5'
_chemical_formula_sum            'C2 H2 Ca O5'
_chemical_formula_weight         146.12
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.07(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.978(1)
_cell_length_b                   7.295(1)
_cell_length_c                   6.292(1)
_cell_volume                     437.82(12)
_diffrn_ambient_temperature      328
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.349
_exptl_crystal_density_diffrn    2.217
_exptl_crystal_density_method    2.20
_exptl_crystal_F_000             296
_refine_ls_number_reflns         373
_refine_ls_R_factor_gt           0.047
_refine_ls_wR_factor_gt          0.055
_cod_data_source_file            Whewellite-328K.cif
_cod_data_source_block           Whewellite-328K
_cod_original_sg_symbol_H-M      'I 2/m'
_cod_database_code               2105964
The crystal structure of beta-thallium perrhenate'
Rogner, P.; Range, K. J.; Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 1017–1022; doi:

data_1517849
_publ_section_title
;
 The crystal structure of beta-thallium perrhenate'
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1017
_journal_page_last               1022
_journal_volume                  619
_journal_year                    1993
_chemical_formula_moiety         'O4 Re Tl3, 2(O4 Re)'
_chemical_formula_sum            'O4 Re Tl'
_chemical_formula_weight         454.59
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ac'
_symmetry_space_group_name_H-M   'P 1 1 21/a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                89.86(2)
_cell_formula_units_Z            12
_cell_length_a                   5.636(1)
_cell_length_b                   17.428(3)
_cell_length_c                   13.353(3)
_cell_volume                     1311.6(4)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    64.346
_exptl_crystal_density_diffrn    6.906
_exptl_crystal_F_000             2256
_refine_ls_number_parameters     165
_refine_ls_number_reflns         2020
_refine_ls_R_factor_gt           0.063
_refine_ls_wR_factor_gt          0.053
_cod_data_source_file            beta-TlReO4.cif
_cod_data_source_block           beta-TlReO4
_cod_original_cell_volume        1331.5(3)
_cod_database_code               1517849
[VCl3(NPPh3)(OPPh3)], ein phosphaniminato-komplex von vanadium(IV)'
Rubenstahl, Thilo; Dehnicke, Kurt; Krautscheid, Harald; Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 1023–1026; doi:

data_1517850
_publ_section_title
;
 [VCl3(NPPh3)(OPPh3)], ein phosphaniminato-komplex von vanadium(IV)'
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1023
_journal_page_last               1026
_journal_volume                  619
_journal_year                    1993
_chemical_formula_sum            'C36 H30 Cl3 N O P2 V'
_chemical_formula_weight         711.29
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.65(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.18(1)
_cell_length_b                   18.26(2)
_cell_length_c                   18.59(2)
_cell_volume                     3449(6)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_refine_ls_number_reflns         2560
_refine_ls_R_factor_gt           0.049
_refine_ls_wR_factor_gt          0.046
_cod_data_source_file            VCl3-etc.cif
_cod_data_source_block           VCl3-etc
_cod_original_sg_symbol_H-M      'C c'
_cod_original_formula_sum        'C36 H30 N Cl3 O P2 V'
_cod_database_code               1517850