LMucko/crystallography-open-database huggingface dataset:
Heavy metal pi-complexes. IX. The chain polymers [(1.2-(CH3)2(C6H4BiCl3)2]. [1.3-(CH3)2C6H4BiCl3)2] and [1.4-(CH3)2C6H4BiCl3)2]
Muller-Becker, S.; Frank, W.; Schneider, J.; Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 1073–1082; doi:

data_1517888
_publ_section_title
;
 Heavy metal pi-complexes. IX. The chain polymers
 [(1.2-(CH3)2(C6H4BiCl3)2]. [1.3-(CH3)2C6H4BiCl3)2] and
 [1.4-(CH3)2C6H4BiCl3)2]
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1073
_journal_page_last               1082
_journal_volume                  619
_journal_year                    1993
_chemical_formula_sum            'C8 H10 Bi Cl3'
_chemical_formula_weight         421.6
_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                 92.91(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.316(3)
_cell_length_b                   23.262(3)
_cell_length_c                   13.183(3)
_cell_volume                     2240.7(11)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_refine_ls_number_parameters     206
_refine_ls_number_reflns         1928
_refine_ls_R_factor_gt           0.085
_refine_ls_wR_factor_gt          0.042
_cod_data_source_file            C8H10BICl3-3.cif
_cod_data_source_block           C8H10BiCl3-3
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1517888
Design and Synthesis of a New Layered Thermoelectric Material LaPbBiS3O.
Sun, Yun-Lei; Ablimit, Abduweli; Zhai, Hui-Fei; Bao, Jin-Ke; Tang, Zhang-Tu; Wang, Xin-Bo; Wang, Nan-Lin; Feng, Chun-Mu; Cao, Guang-Han; Inorganic chemistry 53 (2014) 11125–11129; doi:10.1021/ic501687h

data_4341177
_publ_section_title
;
 Design and Synthesis of a New Layered Thermoelectric Material LaPbBiS3O.
;
_journal_issue                   20
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11125
_journal_page_last               11129
_journal_paper_doi               10.1021/ic501687h
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'Bi La O Pb S3'
_chemical_formula_weight         667.30
_space_group_IT_number           129
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_audit_update_record
;
2014-07-17 # Formatted by publCIF

;
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   4.09819(9)
_cell_length_b                   4.09819(9)
_cell_length_c                   19.77545(63)
_cell_measurement_radiation      X-rays
_cell_measurement_temperature    300
_cell_measurement_wavelength     1.540562
_cell_volume                     332.132(15)
_computing_structure_refinement  Rietan-200
_computing_structure_solution    'starting values from the literature'
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type
;
Lab of ZJU
;
_diffrn_radiation_source         'Cu K alpha1'
_diffrn_radiation_type           X-rays
_diffrn_radiation_wavelength     1.540562
_pd_block_id                     LaPbBiS3O
_pd_meas_scan_method             step
_pd_phase_name                   LaPbBiS3O
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        120
_pd_proc_2theta_range_min        10.02
_pd_proc_ls_prof_wR_factor       0.0686
_refine_ls_wR_factor_all         0.0686
_cod_data_source_file            ic501687h_si_001.cif
_cod_data_source_block           LaPbBiS3O
_cod_depositor_comments          'Adding full bibliography for 4341177.cif.'
_cod_original_cell_volume        332.1317(146)
_cod_original_sg_symbol_Hall     -P_4a_2a
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'La Pb Bi S3 O'
_cod_database_code               4341177
Single-crystal growth and structure refinement of RbAu and CsAU
Zachwieja, Uwe; Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 1095–1097; doi:

data_1517937
_publ_section_title
;
 Single-crystal growth and structure refinement of RbAu and CsAU
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1095
_journal_page_last               1097
_journal_volume                  619
_journal_year                    1993
_chemical_formula_sum            'Au Cs'
_chemical_formula_weight         329.88
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.258(1)
_cell_length_b                   4.258(1)
_cell_length_c                   4.258(1)
_cell_volume                     77.20(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56162
_exptl_absorpt_coefficient_mu    31.930
_exptl_crystal_density_diffrn    7.096
_exptl_crystal_F_000             134
_refine_ls_number_parameters     4
_refine_ls_number_reflns         34
_refine_ls_R_factor_gt           0.009
_refine_ls_wR_factor_gt          0.010
_cod_data_source_file            CsAu.cif
_cod_data_source_block           RbAu
_cod_original_cell_volume        77.20(5)
_cod_original_formula_sum        'Cs Au'
_cod_database_code               1517937
Single-crystal growth and structure refinement of RbAu and CsAU
Zachwieja, Uwe; Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 1095–1097; doi:

data_1517938
_publ_section_title
;
 Single-crystal growth and structure refinement of RbAu and CsAU
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1095
_journal_page_last               1097
_journal_volume                  619
_journal_year                    1993
_chemical_formula_sum            'Au Rb'
_chemical_formula_weight         282.44
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.098(1)
_cell_length_b                   4.098(1)
_cell_length_c                   4.098(1)
_cell_volume                     68.82(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56162
_exptl_absorpt_coefficient_mu    38.390
_exptl_crystal_density_diffrn    6.815
_exptl_crystal_F_000             116
_refine_ls_number_parameters     4
_refine_ls_number_reflns         41
_refine_ls_R_factor_gt           0.011
_refine_ls_wR_factor_gt          0.011
_cod_data_source_file            RbAu.cif
_cod_data_source_block           RbAu
_cod_original_cell_volume        68.82(5)
_cod_database_code               1517938
Structural links between zeolite-type and clathrate hydrate-type materials: synthesis and crystal structure of [N(CH3)4]6[Al(x)Si(8-x)O(18-x)(OH)(2+x)].44H2O (x = 3-4)
Grube, M.; Wiebcke, M.; Felsche, J.; Engelhardt, G.; Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 1098–1104; doi:

data_1517939
_publ_section_title
;
 Structural links between zeolite-type and clathrate hydrate-type
 materials: synthesis and crystal structure of
 [N(CH3)4]6[Al(x)Si(8-x)O(18-x)(OH)(2+x)].44H2O (x = 3-4)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1098
_journal_page_last               1104
_journal_volume                  619
_journal_year                    1993
_chemical_formula_sum            'C24 H166 Al4 N6 O64 Si4'
_chemical_formula_weight         1783.87
_space_group_IT_number           128
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      128
_symmetry_space_group_name_Hall  '-P 4 2n'
_symmetry_space_group_name_H-M   'P 4/m n c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.181(4)
_cell_length_b                   16.181(4)
_cell_length_c                   17.450(4)
_cell_volume                     4568.8(19)
_diffrn_ambient_temperature      180
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_refine_ls_number_parameters     145
_refine_ls_number_reflns         1196
_refine_ls_R_factor_gt           0.072
_refine_ls_wR_factor_gt          0.089
_cod_data_source_file            grube-1993.cif
_cod_data_source_block           Grube-1993
_cod_original_cell_volume        4569(2)
_cod_original_formula_sum        'C24 H166 Al4 N6 Si4 O64'
_cod_database_code               1517939
Synthesis and crystal structure of [ReNCl(NPPh2C6H4)]2.[Ph3PNH2]Cl.CH3CN, a rhenium organic nitrido phosphoraneiminato complex
Nubhar, Dirk; Weller, Frank; Dehnicke, Kurt; Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 1121–1126; doi:

data_1517940
_publ_section_title
;
 Synthesis and crystal structure of [ReNCl(NPPh2C6H4)]2.[Ph3PNH2]Cl.CH3CN,
 a rhenium organic nitrido phosphoraneiminato complex
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1121
_journal_page_last               1126
_journal_volume                  619
_journal_year                    1993
_chemical_formula_sum            'C56 H48 Cl3 N6 P3 Re2'
_chemical_formula_weight         1376.7
_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                105.86(3)
_cell_angle_beta                 101.49(3)
_cell_angle_gamma                104.45(3)
_cell_formula_units_Z            2
_cell_length_a                   10.055(5)
_cell_length_b                   16.952(6)
_cell_length_c                   17.447(6)
_cell_volume                     2654(2)
_diffrn_ambient_temperature      292
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_refine_ls_number_reflns         894
_refine_ls_R_factor_gt           0.043
_cod_data_source_file            Nubhar.cif
_cod_data_source_block           ReNCl
_cod_original_formula_sum        'C56 H48 N6 P3 Re2 Cl3'
_cod_database_code               1517940
Synthesis and crystal structure of [Na(15-Crown-5]4[Cd4Te12].8DMF
Schreiner, Bernhard; Dehnicke, Kurt; Fenske, Dieter; Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 1127–1131; doi:

data_1517941
_publ_section_title
;
 Synthesis and crystal structure of [Na(15-Crown-5]4[Cd4Te12].8DMF
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1127
_journal_page_last               1131
_journal_volume                  619
_journal_year                    1993
_chemical_formula_sum            'C64 H136 Cd4 N8 Na4 O28 Te12'
_chemical_formula_weight         3538.6
_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                 92.26(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.229(6)
_cell_length_b                   20.382(5)
_cell_length_c                   17.398(2)
_cell_volume                     5750(3)
_diffrn_ambient_temperature      223
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_refine_ls_number_reflns         5716
_refine_ls_R_factor_gt           0.0383
_refine_ls_wR_factor_gt          0.0328
_cod_data_source_file            15-crown-5.cif
_cod_data_source_block           15-crown-5
_cod_depositor_comments
;

2023-04-18
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C32 H68 Cd2 N4 Na2 O14 Te6'
_cod_original_formula_weight         1769.3
_cod_original_formula_units_Z            4
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1517941
On the proton-acceptor properties of [TeMo6O24]6- in Na4(NH4)2[TeMo6O24].16H2O
Robl, Christian; Frost, Mona; Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 1132–1136; doi:

data_1517942
_publ_section_title
;
 On the proton-acceptor properties of [TeMo6O24]6- in
 Na4(NH4)2[TeMo6O24].16H2O
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1132
_journal_page_last               1136
_journal_volume                  619
_journal_year                    1993
_chemical_formula_sum            'H40 Mo6 N2 Na4 O40 Te'
_chemical_formula_weight         1503.54
_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                96.259(9)
_cell_angle_beta                 118.556(7)
_cell_angle_gamma                113.355(8)
_cell_formula_units_Z            1
_cell_length_a                   10.753(1)
_cell_length_b                   10.742(1)
_cell_length_c                   10.898(1)
_cell_volume                     943.0(2)
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.862
_exptl_crystal_density_diffrn    2.648
_exptl_crystal_F_000             722
_refine_ls_number_parameters     311
_refine_ls_number_reflns         3689
_refine_ls_R_factor_gt           0.0233
_refine_ls_wR_factor_gt          0.0204
_cod_data_source_file            TeMo6O24.cif
_cod_data_source_block           TeMo6O24
_cod_database_code               1517942
Water-rich molybdotellurates; preparation and crystal structure of Li6[TeMo6O24].18H2O and Li6[TeMo6O24].Te(OH)6.18H2O
Rol, Christian; Frost, Mona; Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 1137–1146; doi:

data_1517952
_publ_section_title
;
 Water-rich molybdotellurates; preparation and crystal structure of
 Li6[TeMo6O24].18H2O and Li6[TeMo6O24].Te(OH)6.18H2O
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1137
_journal_page_last               1146
_journal_volume                  619
_journal_year                    1993
_chemical_formula_sum            'H36 Li6 Mo6 O42 Te'
_chemical_formula_weight         1453.2
_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                61.08(1)
_cell_angle_beta                 60.44(1)
_cell_angle_gamma                73.95(1)
_cell_formula_units_Z            1
_cell_length_a                   10.417(1)
_cell_length_b                   10.586(1)
_cell_length_c                   10.708(1)
_cell_volume                     897.92(19)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_crystal_density_diffrn    2.69
_refine_ls_number_parameters     317
_refine_ls_number_reflns         3973
_refine_ls_R_factor_gt           0.0332
_refine_ls_wR_factor_gt          0.0247
_cod_data_source_file            Li6TeMo6O24-18H2O.cif
_cod_data_source_block           Li6-18H2O
_cod_database_code               1517952
Water-rich molybdotellurates; preparation and crystal structure of Li6[TeMo6O24].18H2O and Li6[TeMo6O24].Te(OH)6.18H2O
Rol, Christian; Frost, Mona; Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 1137–1146; doi:

data_1517953
_publ_section_title
;
 Water-rich molybdotellurates; preparation and crystal structure of
 Li6[TeMo6O24].18H2O and Li6[TeMo6O24].Te(OH)6.18H2O
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1137
_journal_page_last               1146
_journal_volume                  619
_journal_year                    1993
_chemical_formula_sum            'H42 Li6 Mo6 O48 Te2'
_chemical_formula_weight         1682.8
_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                 91.36(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.941(3)
_cell_length_b                   23.448(10)
_cell_length_c                   17.649(4)
_cell_volume                     4113(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_crystal_density_diffrn    2.72
_refine_ls_number_parameters     627
_refine_ls_number_reflns         5900
_refine_ls_R_factor_gt           0.0415
_refine_ls_wR_factor_gt          0.0327
_cod_data_source_file            Li6TeMo6O24-Te-OH-6-18H2O.cif
_cod_data_source_block           Li6-18H2O-2
_cod_original_cell_volume        4113
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1517953
Metal-free oxidative direct C(sp3)-H bond functionalization of ethers with alpha,alpha-diaryl allylic alcohols
Xue-Qiang Chu; Hua Meng; You Zi; Xiao-Ping Xu; Shun-Jun Ji; Chem.Commun. 50 (2014) 9718–; doi:10.1039/C4cc04282D

data_7115492
_publ_section_title
;
 Metal-free oxidative direct C(sp3)-H bond functionalization of ethers
 with alpha,alpha-diaryl allylic alcohols
;
_journal_name_full               Chem.Commun.
_journal_page_first              9718
_journal_paper_doi               10.1039/C4cc04282D
_journal_volume                  50
_journal_year                    2014
_chemical_formula_sum            'C21 H17 N O3'
_chemical_formula_weight         331.36
_chemical_melting_point          149.5(5)
_chemical_name_common
;
3-(benzo[d][1,3]dioxol-2-yl)-1-phenyl-2-(pyridin-3-yl)propan-1-one
;
_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                90.00
_cell_angle_beta                 118.016(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.2758(3)
_cell_length_b                   8.60590(15)
_cell_length_c                   10.5383(3)
_cell_volume                     822.72(5)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.338
_exptl_crystal_description       block
_exptl_crystal_preparation       'ethyl acetate'
_refine_ls_R_factor_all          0.0462
_refine_ls_R_factor_gt           0.0456
_refine_ls_wR_factor_gt          0.1061
_refine_ls_wR_factor_ref         0.1070
_cod_data_source_file            c4cc04282d2.cif
_cod_data_source_block           added_by_encifer
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '149-150' was changed to '149.5(5)' -
the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 2827 2014-09-09 07:05:25Z andrius 
;
_cod_original_cell_volume        822.72(4)
_cod_original_sg_symbol_H-M      'P 2yb'
_cod_database_code               7115492
Localization of Oxygen Interstitials in CeSrGa3O7+δ Melilite.
Xu, Jungu; Kuang, Xiaojun; Véron, Emmanuel; Allix, Mathieu; Suchomel, Matthew R.; Porcher, Florence; Liang, Chaolun; Pan, Fengjuan; Wu, Mingmei; Inorganic chemistry 53 (2014) 11589–11597; doi:10.1021/ic501662p

data_4341276
_publ_section_title
;
 Localization of Oxygen Interstitials in CeSrGa3O7+\d Melilite.
;
_journal_issue                   21
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11589
_journal_page_last               11597
_journal_paper_doi               10.1021/ic501662p
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'Ce Ga3 O7.38 Sr'
_chemical_formula_weight         555.06
_chemical_name_mineral           CeSrGa3O7.39
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.02391(4)
_cell_length_b                   8.02391(4)
_cell_length_c                   5.23601(3)
_cell_measurement_temperature    293(2)
_cell_volume                     337.111(3)
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_radiation_wavelength     1.225
_cod_data_source_file            ic501662p_si_002.cif
_cod_data_source_block           CeSrGa3O7.39
_cod_depositor_comments          'Adding full bibliography for 4341276.cif.'
_cod_original_cell_volume        337.111(4)
_cod_original_sg_symbol_H-M      P-421m
_cod_original_formula_sum        'Ce1 Ga3 O7.38 Sr1'
_cod_database_code               4341276
The tretraphenylester of the μ-imido-dithiodiphosphoric acid and its palladium complex - crystal structures
Nouaman, Moein; Žak, Zdirad; Herrmann, Eckhard; Navrátil, Oldřich; Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 1147–1153; doi:10.1002/zaac.19936190630

data_1517985
_publ_section_title
;
 The tretraphenylester of the \m-imido-dithiodiphosphoric acid and its
 palladium complex - crystal structures
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1147
_journal_page_last               1153
_journal_paper_doi               10.1002/zaac.19936190630
_journal_volume                  619
_journal_year                    1993
_chemical_formula_sum            'C48 H40 N2 O8 P4 Pd S4'
_chemical_formula_weight         1131.41
_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                 101.84(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.687(2)
_cell_length_b                   15.302(3)
_cell_length_c                   15.207(3)
_cell_volume                     2433.9(8)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_crystal_density_diffrn    1.544
_refine_ls_number_parameters     304
_refine_ls_number_reflns         5519
_refine_ls_R_factor_gt           0.052
_refine_ls_wR_factor_gt          0.067
_cod_data_source_file            PDSS.cif
_cod_data_source_block           PDSS
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-01-03
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1517985