LMucko/crystallography-open-database huggingface dataset:
Tetraphenylantimony Pentafluorobenzoate and Tetra-p-Tolylantimony Nitrate: Syntheses and Structures
Sharutin, V. V.; Sharutina, O. K.; Bondar', E. A.; Pakusina, A. P.; Adonin, N. Yu.; Starichenko, V. F.; Fukin, G. K.; Zakharov, L. N.; Russian Journal of Coordination Chemistry 27 (2001) 393–397; doi:10.1023/A:1011335724711

data_1567221
_publ_section_title
;
 Tetraphenylantimony Pentafluorobenzoate and Tetra-p-Tolylantimony
 Nitrate: Syntheses and Structures
;
_journal_issue                   6
_journal_name_full               'Russian Journal of Coordination Chemistry'
_journal_page_first              393
_journal_page_last               397
_journal_paper_doi               10.1023/A:1011335724711
_journal_volume                  27
_journal_year                    2001
_chemical_formula_moiety         'C28 H28 N O3 Sb'
_chemical_formula_sum            'C28 H28 N O3 Sb'
_chemical_name_common
;
Nitrato-tetra-p-tolyl-antimony(V)
;
_chemical_name_systematic
;
Nitrato-tetrakis(4-methylphenyl)antimony(V)
;
_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'
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           'manually at INEOS RAS'
_cell_angle_alpha                90
_cell_angle_beta                 112.03(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.874(2)
_cell_length_b                   22.905(5)
_cell_length_c                   12.325(3)
_cell_volume                     2584.0(11)
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_exptl_crystal_density_diffrn    1.409
_refine_ls_R_factor_gt           0.040
_refine_ls_wR_factor_ref         0.101
_cod_data_source_file            R18-19old.cif
_cod_data_source_block           compound_R18old
_cod_original_cell_volume        2584(1)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1567221
Tetraphenylantimony Pentafluorobenzoate and Tetra-p-Tolylantimony Nitrate: Syntheses and Structures
Sharutin, V. V.; Sharutina, O. K.; Bondar', E. A.; Pakusina, A. P.; Adonin, N. Yu.; Starichenko, V. F.; Fukin, G. K.; Zakharov, L. N.; Russian Journal of Coordination Chemistry 27 (2001) 393–397; doi:10.1023/A:1011335724711

data_1567222
_publ_section_title
;
 Tetraphenylantimony Pentafluorobenzoate and Tetra-p-Tolylantimony
 Nitrate: Syntheses and Structures
;
_journal_issue                   6
_journal_name_full               'Russian Journal of Coordination Chemistry'
_journal_page_first              393
_journal_page_last               397
_journal_paper_doi               10.1023/A:1011335724711
_journal_volume                  27
_journal_year                    2001
_chemical_formula_moiety         'C31 H20 F5 O2 Sb'
_chemical_formula_sum            'C31 H20 F5 O2 Sb'
_chemical_name_systematic
;
Pentafluorobenzoato-tetraphenyl-antimony(V)
;
_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'
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           'manually at INEOS RAS'
_cell_angle_alpha                90
_cell_angle_beta                 113.03(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.175(3)
_cell_length_b                   8.765(2)
_cell_length_c                   20.420(4)
_cell_volume                     2664.3(11)
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_exptl_crystal_density_diffrn    1.599
_refine_ls_R_factor_gt           0.035
_refine_ls_wR_factor_ref         0.079
_cod_data_source_file            R18-19old.cif
_cod_data_source_block           compound_R19old
_cod_original_cell_volume        2664(1)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1567222
Synthesis and Structure of Tetraaqua-bis(2-Formylphenoxyacetato)Zinc(II) Dihydrate
Shova, S.; Novitsky, G.; Gdaniec, M.; Simonov, Yu. A.; Shafransky, V.; Turta, C.; Russian Journal of Coordination Chemistry 27 (2001) 387–392; doi:10.1023/A:1011383607873

data_1567223
_publ_section_title
;
 Synthesis and Structure of Tetraaqua-bis(2-Formylphenoxyacetato)Zinc(II)
 Dihydrate
;
_journal_issue                   6
_journal_name_full               'Russian Journal of Coordination Chemistry'
_journal_page_first              387
_journal_page_last               392
_journal_paper_doi               10.1023/A:1011383607873
_journal_volume                  27
_journal_year                    2001
_chemical_formula_moiety         'C18 H22 O12 Zn, 2(H2 O)'
_chemical_formula_sum            'C18 H26 O14 Zn'
_chemical_formula_weight         531.76
_chemical_name_systematic
;
Tetraaqua-bis(2-formylphenoxyacetato)zinc(II) dihydrate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           'manually at INEOS RAS'
_cell_angle_alpha                90
_cell_angle_beta                 116.41(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.254(5)
_cell_length_b                   6.952(1)
_cell_length_c                   13.951(3)
_cell_volume                     2193.7(9)
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_F_000             1104
_refine_ls_R_factor_gt           0.034
_refine_ls_wR_factor_ref         0.090
_cod_data_source_file            R20old.cif
_cod_data_source_block           global
_cod_original_cell_volume        2193.7(7)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1567223
Crystal Structures of Ammonium and Cesium Pentadecafluorotetraantimonates(III)
Udovenko, A. A.; Gorbunova, Yu. E.; Zemnukhova, L. A.; Mikhailov, Yu. N.; Davidovich, R. L.; Russian Journal of Coordination Chemistry 27 (2001) 479–482; doi:10.1023/A:1011385531672

data_1567224
_publ_section_title
;
 Crystal Structures of Ammonium and Cesium
 Pentadecafluorotetraantimonates(III)
;
_journal_issue                   7
_journal_name_full               'Russian Journal of Coordination Chemistry'
_journal_page_first              479
_journal_page_last               482
_journal_paper_doi               10.1023/A:1011385531672
_journal_volume                  27
_journal_year                    2001
_chemical_formula_moiety         'F15 H12 N3 Sb4'
_chemical_formula_sum            'F15 H12 N3 Sb4'
_chemical_name_systematic
;
Triammonium pentadecafluorotetraantimonate(III)
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           'manually at INEOS RAS'
_cell_angle_alpha                63.71(4)
_cell_angle_beta                 73.24(3)
_cell_angle_gamma                77.42(5)
_cell_formula_units_Z            2
_cell_length_a                   8.317(3)
_cell_length_b                   10.419(6)
_cell_length_c                   10.826(3)
_cell_volume                     800.9(7)
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_exptl_crystal_density_diffrn    3.425
_exptl_crystal_F_000             744
_refine_ls_R_factor_gt           0.051
_cod_data_source_file            R21-22old.cif
_cod_data_source_block           compound_R21old
_cod_original_cell_volume        801.0(9)
_cod_database_code               1567224
Crystal Structures of Ammonium and Cesium Pentadecafluorotetraantimonates(III)
Udovenko, A. A.; Gorbunova, Yu. E.; Zemnukhova, L. A.; Mikhailov, Yu. N.; Davidovich, R. L.; Russian Journal of Coordination Chemistry 27 (2001) 479–482; doi:10.1023/A:1011385531672

data_1567225
_publ_section_title
;
 Crystal Structures of Ammonium and Cesium
 Pentadecafluorotetraantimonates(III)
;
_journal_issue                   7
_journal_name_full               'Russian Journal of Coordination Chemistry'
_journal_page_first              479
_journal_page_last               482
_journal_paper_doi               10.1023/A:1011385531672
_journal_volume                  27
_journal_year                    2001
_chemical_formula_moiety         'Cs3 F15 Sb4'
_chemical_formula_sum            'Cs3 F15 Sb4'
_chemical_name_systematic
;
Tricesium pentadecafluorotetraantimonate(III)
;
_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'
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           'manually at INEOS RAS'
_cell_angle_alpha                90
_cell_angle_beta                 117.08(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.079(2)
_cell_length_b                   19.116(8)
_cell_length_c                   8.162(2)
_cell_volume                     1122.3(6)
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_exptl_crystal_density_diffrn    4.549
_exptl_crystal_F_000             2016
_refine_ls_R_factor_gt           0.036
_cod_data_source_file            R21-22old.cif
_cod_data_source_block           compound_R22old
_cod_original_cell_volume        1709.6(8)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1567225
Synthesis and Crystal Structure of Acid Phosphites RbH2PO3, CsH2PO3, and TlH2PO3
Kosterina, E. V.; Troyanov, S. I.; Kemnitz, E.; Aslanov, L. A.; Russian Journal of Coordination Chemistry 27 (2001) 458–462; doi:10.1023/A:1011377229855

data_1567226
_publ_section_title
;
 Synthesis and Crystal Structure of Acid Phosphites RbH2PO3, CsH2PO3, and
 TlH2PO3
;
_journal_issue                   7
_journal_name_full               'Russian Journal of Coordination Chemistry'
_journal_page_first              458
_journal_page_last               462
_journal_paper_doi               10.1023/A:1011377229855
_journal_volume                  27
_journal_year                    2001
_chemical_formula_moiety         'Rb, H2 O3 P'
_chemical_formula_sum            'H2 O3 P Rb'
_chemical_formula_weight         166.46
_chemical_name_common
;
Rubidum dihydrogenphosphate(III)
;
_chemical_name_systematic
;
Rubidium phosphite
;
_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'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           'manually at INEOS RAS'
_cell_angle_alpha                90
_cell_angle_beta                 102.46(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.530(2)
_cell_length_b                   8.634(2)
_cell_length_c                   12.426(2)
_cell_volume                     788.8(3)
_diffrn_ambient_temperature      150
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_exptl_crystal_density_diffrn    2.803
_exptl_crystal_F_000             624
_refine_ls_R_factor_gt           0.041
_refine_ls_wR_factor_ref         0.137
_cod_data_source_file            R23-25old.cif
_cod_data_source_block           global
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1567226
Synthesis and Crystal Structure of Acid Phosphites RbH2PO3, CsH2PO3, and TlH2PO3
Kosterina, E. V.; Troyanov, S. I.; Kemnitz, E.; Aslanov, L. A.; Russian Journal of Coordination Chemistry 27 (2001) 458–462; doi:10.1023/A:1011377229855

data_1567227
_publ_section_title
;
 Synthesis and Crystal Structure of Acid Phosphites RbH2PO3, CsH2PO3, and
 TlH2PO3
;
_journal_issue                   7
_journal_name_full               'Russian Journal of Coordination Chemistry'
_journal_page_first              458
_journal_page_last               462
_journal_paper_doi               10.1023/A:1011377229855
_journal_volume                  27
_journal_year                    2001
_chemical_formula_moiety         'Cs, H2 O3 P'
_chemical_formula_sum            'Cs H2 O3 P'
_chemical_formula_weight         213.90
_chemical_name_common
;
Caesium dihydrogenphosphate(III)
;
_chemical_name_systematic
;
Caesium phosphite
;
_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'
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           'manually at INEOS RAS'
_cell_angle_alpha                90
_cell_angle_beta                 104.84(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.930(2)
_cell_length_b                   8.929(2)
_cell_length_c                   13.163(3)
_cell_volume                     900.9(4)
_diffrn_ambient_temperature      150
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_exptl_crystal_density_diffrn    3.154
_exptl_crystal_F_000             768
_refine_ls_R_factor_gt           0.024
_refine_ls_wR_factor_ref         0.092
_cod_data_source_file            R23-25old.cif
_cod_data_source_block           compound_R24old
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1567227
Synthesis and Crystal Structure of Acid Phosphites RbH2PO3, CsH2PO3, and TlH2PO3
Kosterina, E. V.; Troyanov, S. I.; Kemnitz, E.; Aslanov, L. A.; Russian Journal of Coordination Chemistry 27 (2001) 458–462; doi:10.1023/A:1011377229855

data_1567228
_publ_section_title
;
 Synthesis and Crystal Structure of Acid Phosphites RbH2PO3, CsH2PO3, and
 TlH2PO3
;
_journal_issue                   7
_journal_name_full               'Russian Journal of Coordination Chemistry'
_journal_page_first              458
_journal_page_last               462
_journal_paper_doi               10.1023/A:1011377229855
_journal_volume                  27
_journal_year                    2001
_chemical_formula_moiety         'Tl, H2 O3 P'
_chemical_formula_sum            'H2 O3 P Tl'
_chemical_formula_weight         285.36
_chemical_name_common
;
Tallium dihydrogenphosphate(III)
;
_chemical_name_systematic
;
Tallium phosphite
;
_space_group_IT_number           33
_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_H-M   'P n a 21'
_audit_creation_method           'manually at INEOS RAS'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.603(1)
_cell_length_b                   6.785(1)
_cell_length_c                   8.836(2)
_cell_volume                     395.86(12)
_diffrn_ambient_temperature      150
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_exptl_crystal_density_diffrn    4.788
_exptl_crystal_F_000             484
_refine_ls_R_factor_gt           0.035
_refine_ls_wR_factor_ref         0.153
_cod_data_source_file            R23-25old.cif
_cod_data_source_block           compound_R25old
_cod_original_cell_volume        395.9(1)
_cod_database_code               1567228
Isolated Rh atoms in dehydrogenation catalysis
Wittkämper, Haiko; Hock, Rainer; Weißer, Matthias; Dallmann, Johannes; Vogel, Carola; Raman, Narayanan; Taccardi, Nicola; Haumann, Marco; Wasserscheid, Peter; Hsieh, Tzung-En; Maisel, Sven; Moritz, Michael; Wichmann, Christoph; Frisch, Johannes; Gorgoi, Mihaela; Wilks, Regan G.; Bär, Marcus; Wu, Mingjian; Spiecker, Erdmann; Görling, Andreas; Unruh, Tobias; Steinrück, Hans-Peter; Papp, Christian; Scientific Reports 13 (2023) 4458–; doi:10.1038/s41598-023-31157-y

data_3000399
_publ_section_title
;
 Isolated Rh atoms in dehydrogenation catalysis
;
_journal_issue                   1
_journal_name_full               'Scientific Reports'
_journal_page_first              4458
_journal_paper_doi               10.1038/s41598-023-31157-y
_journal_volume                  13
_journal_year                    2023
_chemical_formula_structural     'Rh Ga3'
_chemical_formula_sum            'Ga12 Rh4'
_chemical_name_common            'Rhodium gallide (1/3)'
_space_group_IT_number           36
_space_group_name_Hall           'C 2c -2'
_space_group_name_H-M_alt        'C m c 21'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   3.2116(1)
_cell_length_b                   9.1666(1)
_cell_length_c                   8.4581(1)
_cell_volume                     249.002(9)
_exptl_crystal_density_diffrn    8.324
_cod_data_source_file            Ga3RhWPFRefinement.cif
_cod_data_source_block
/var/www/html/cod/tmp/uploads/1657092643.0706-E1E3FACF138848FF.cif
_cod_depositor_comments
;Full autthorlist was added.
 Common chemical name was added.
 Oxidation
 number was corrected to 0 (metallic).

 Journal_name_full was corrected

 Line 'journal_full_name' was corrected. To be submitted removed.

 Chemical formula sum corrected.

 Releasing structure 3000399 into public domain as published material.
;
_cod_original_cell_volume        249.00(3)
_cod_original_formula_sum        'Rh3 Ga12'
_cod_database_code               3000399
pengbijie; To be published in Crystals  () –; doi:

data_3000400
_journal_name_full               'To be published in Crystals'
_chemical_formula_sum            'Fe0.25 Mg1.93 O4 Si'
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.1918(7)
_cell_length_b                   5.9689(4)
_cell_length_c                   4.7484(3)
_cell_measurement_temperature    293(2)
_cell_volume                     288.86(3)
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.185
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0350
_refine_ls_wR_factor_gt          0.0944
_refine_ls_wR_factor_ref         0.0948
_cod_database_code               3000400
_cod_hold_until_date             2022-12-06
peng; To be published in Crystals  () –; doi:

data_3000401
_journal_name_full               'To be published in Crystals '
_chemical_formula_sum            'Fe0.02 Mg1.98 O4 Si'
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.1918(7)
_cell_length_b                   5.9689(4)
_cell_length_c                   4.7484(3)
_cell_measurement_temperature    293(2)
_cell_volume                     288.86(3)
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.185
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0350
_refine_ls_wR_factor_gt          0.0944
_refine_ls_wR_factor_ref         0.0948
_cod_database_code               3000401
_cod_hold_until_date             2023-06-07
Superacid Univalent Metal Phosphites (MH2PO3)2 x H3PO3 (M = Rb, Tl(I)) and MH2PO3 x H3PO3 (M = K, Cs): Synthesis and Structure
Kosterina, E. V.; Troyanov, S. I.; Aslanov, L. A.; Kemnitz, E.; Russian Journal of Coordination Chemistry 27 (2001) 527–536; doi:10.1023/A:1011393810002

data_1567257
_publ_section_title
;
 Superacid Univalent Metal Phosphites (MH2PO3)2 x H3PO3 (M = Rb, Tl(I))
 and MH2PO3 x H3PO3 (M = K, Cs): Synthesis and Structure
;
_journal_issue                   8
_journal_name_full               'Russian Journal of Coordination Chemistry'
_journal_page_first              527
_journal_page_last               536
_journal_paper_doi               10.1023/A:1011393810002
_journal_volume                  27
_journal_year                    2001
_chemical_formula_moiety         '2(Rb H2 O3 P), H3 O3 P'
_chemical_formula_sum            'H7 O9 P3 Rb2'
_chemical_formula_weight         414.91
_chemical_name_common
;
Bis(rubidum hydrogenphosphonate) phosphonic acid
;
_chemical_name_systematic
;
Bis(rubidium phosphite) phosphonic acid solvate
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           'manually at INEOS RAS'
_cell_angle_alpha                79.36(3)
_cell_angle_beta                 67.60(2)
_cell_angle_gamma                88.13(3)
_cell_formula_units_Z            2
_cell_length_a                   7.713(2)
_cell_length_b                   8.679(3)
_cell_length_c                   9.235(3)
_cell_volume                     561.2(3)
_diffrn_ambient_temperature      150
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_exptl_crystal_density_diffrn    2.455
_refine_ls_R_factor_gt           0.025
_refine_ls_wR_factor_ref         0.065
_cod_data_source_file            R26-30old.cif
_cod_data_source_block           compound_R26old
_cod_original_cell_volume        561.2(2)
_cod_database_code               1567257
Superacid Univalent Metal Phosphites (MH2PO3)2 Â· H3PO3 (M = Rb, Tl(I)) and MH2PO3 Â· H3PO3 (M = K, Cs): Synthesis and Structure
Kosterina, E. V.; Troyanov, S. I.; Aslanov, L. A.; Kemnitz, E.; Russian Journal of Coordination Chemistry 27 (2001) 527–536; doi:10.1023/A:1011393810002

data_1567258
_publ_section_title
;
 Superacid Univalent Metal Phosphites (MH2PO3)2 &#x00C2;&#x00B7; H3PO3 (M
 = Rb, Tl(I)) and MH2PO3 &#x00C2;&#x00B7; H3PO3 (M = K, Cs): Synthesis and
 Structure
;
_journal_issue                   8
_journal_name_full               'Russian Journal of Coordination Chemistry'
_journal_page_first              527
_journal_page_last               536
_journal_paper_doi               10.1023/A:1011393810002
_journal_volume                  27
_journal_year                    2001
_chemical_formula_moiety         '2(Tl H2 O3 P), H3 O3 P'
_chemical_formula_sum            'H7 O9 P3 Tl2'
_chemical_formula_weight         652.71
_chemical_name_common
;
Bis(tallium hydrogen phosphonate(III)) phosphonic acid
;
_chemical_name_systematic
;
Bis(Tallium phosphite) phosphonic acid solvate
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           'manually at INEOS RAS'
_cell_angle_alpha                79.48(3)
_cell_angle_beta                 66.72(3)
_cell_angle_gamma                85.45(3)
_cell_formula_units_Z            2
_cell_length_a                   7.690(3)
_cell_length_b                   8.494(3)
_cell_length_c                   9.292(4)
_cell_volume                     548.1(4)
_diffrn_ambient_temperature      150
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_exptl_crystal_density_diffrn    3.955
_refine_ls_R_factor_gt           0.049
_refine_ls_wR_factor_ref         0.164
_cod_data_source_file            R26-30old.cif
_cod_data_source_block           compound_R27old
_cod_database_code               1567258