LMucko/crystallography-open-database huggingface dataset:
Chlorinated Thiophenes. I. Reactions of Trichloro-2-thienylcarbinols
Skramstad, Jan; Froyen, Paul; Acta Chemica Scandinavica 47 (1993) 131–137; doi:10.3891/acta.chem.scand.47-0131

data_1558910
_publ_section_title
;
 Chlorinated Thiophenes. I. Reactions of Trichloro-2-thienylcarbinols
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              131
_journal_page_last               137
_journal_paper_doi               10.3891/acta.chem.scand.47-0131
_journal_volume                  47
_journal_year                    1993
_chemical_formula_sum            'C11 H6 Cl2 O S'
_chemical_formula_weight         257.136
_chemical_name_common
;
5-Benzylidene-3,4-dichlorothiophen-2(5H)-one
;
_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_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                 103.55(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   7.036(2)
_cell_length_b                   11.560(4)
_cell_length_c                   13.592(2)
_cell_volume                     1074.7(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.76
_exptl_crystal_density_diffrn    1.58
_exptl_crystal_F_000             502
_refine_ls_number_reflns         827
_refine_ls_R_factor_gt           0.117
_refine_ls_wR_factor_gt          0.117
_cod_data_source_file            Acta-Chem-Scand-1993-47-131.cif
_cod_data_source_block           1
_cod_original_cell_volume        1074.8(5)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1558910
Novel Conversions of Benzotriazol-1-ylmethyl Derivatives
Katritzky, Alan R.; Wu, Jing; Wrobel, Leszek; Rachwal, Stanislaw; Steel, Peter J.; Acta Chemica Scandinavica 47 (1993) 167–175; doi:10.3891/acta.chem.scand.47-0167

data_1558911
_publ_section_title
;
 Novel Conversions of Benzotriazol-1-ylmethyl Derivatives
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              167
_journal_page_last               175
_journal_paper_doi               10.3891/acta.chem.scand.47-0167
_journal_volume                  47
_journal_year                    1993
_chemical_formula_sum            'C7 H6 N4 O'
_chemical_formula_weight         162.2
_chemical_name_common
;
(E)-Benzotriazole-l-carbaldehyde oxime
;
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_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                 131.80(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   11.835(7)
_cell_length_b                   10.210(4)
_cell_length_c                   8.198(4)
_cell_volume                     738.5(7)
_diffrn_ambient_temperature      193
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.10
_exptl_crystal_density_diffrn    1.46
_exptl_crystal_F_000             336
_refine_ls_goodness_of_fit_ref   1.11
_refine_ls_number_parameters     107
_refine_ls_number_reflns         569
_refine_ls_R_factor_gt           0.047
_refine_ls_wR_factor_gt          0.047
_cod_data_source_file            Acta-Chem-Scand-1993-47-167-1.cif
_cod_data_source_block           1
_cod_original_cell_volume        738.5(6)
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               1558911
Novel Conversions of Benzotriazol-1-ylmethyl Derivatives
Katritzky, Alan R.; Wu, Jing; Wrobel, Leszek; Rachwal, Stanislaw; Steel, Peter J.; Acta Chemica Scandinavica 47 (1993) 167–175; doi:10.3891/acta.chem.scand.47-0167

data_1558912
_publ_section_title
;
 Novel Conversions of Benzotriazol-1-ylmethyl Derivatives
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              167
_journal_page_last               175
_journal_paper_doi               10.3891/acta.chem.scand.47-0167
_journal_volume                  47
_journal_year                    1993
_chemical_formula_sum            'C7 H6 N4 O'
_chemical_formula_weight         162.2
_chemical_name_common
;
Benzotriazole-1-carboxamide
;
_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_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                 105.98(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   7.607(2)
_cell_length_b                   8.222(2)
_cell_length_c                   12.160(3)
_cell_volume                     731.2(3)
_diffrn_ambient_temperature      193
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.10
_exptl_crystal_density_diffrn    1.47
_exptl_crystal_F_000             336
_refine_ls_goodness_of_fit_ref   1.41
_refine_ls_number_parameters     109
_refine_ls_number_reflns         1258
_refine_ls_R_factor_gt           0.045
_refine_ls_wR_factor_gt          0.053
_cod_data_source_file            Acta-Chem-Scand-1993-47-167-2.cif
_cod_data_source_block           2
_cod_original_cell_volume        731.2(4)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1558912
Synthesis of Novel Crown Ethers Derived from 3,3'-Dimethyl-2,2'-Bithienylene and Preparation of alpha,omega-Bis(3-methylenethienyl) Ethers
Zimmer, Hans; Amer, Adel; Shabana, R.; Ho, Douglas; Mark, Jr., Harry B.; Sudsuansri, Kobkul; Striley, Cindy; Acta Chemica Scandinavica 47 (1993) 184–190; doi:10.3891/acta.chem.scand.47-0184

data_1558919
_publ_section_title
;
 Synthesis of Novel Crown Ethers Derived from
 3,3'-Dimethyl-2,2'-Bithienylene and Preparation of
 alpha,omega-Bis(3-methylenethienyl) Ethers
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              184
_journal_page_last               190
_journal_paper_doi               10.3891/acta.chem.scand.47-0184
_journal_volume                  47
_journal_year                    1993
_chemical_formula_sum            'C12 H12 O2 S2'
_chemical_formula_weight         252.36
_chemical_name_common
;
7,9,10,12-tetrahydrodithieno[3,2-f:2',3'-h][1,4]dioxecine
;
_space_group_IT_number           92
_space_group_name_Hall           'P 4abw 2nw'
_space_group_name_H-M_alt        'P 41 21 2'
_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.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   6.9270(5)
_cell_length_b                   6.9270(5)
_cell_length_c                   25.0785(36)
_cell_volume                     1203.3(2)
_diffrn_ambient_temperature      294
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.406
_exptl_crystal_density_diffrn    1.39
_exptl_crystal_F_000             528
_refine_ls_goodness_of_fit_ref   2.17
_refine_ls_number_parameters     97
_refine_ls_number_reflns         724
_refine_ls_R_factor_gt           0.0246
_refine_ls_wR_factor_gt          0.0291
_cod_data_source_file            Acta-Chem-Scand-1993-47-184-1.cif
_cod_data_source_block           1
_cod_database_code               1558919
Synthesis of Novel Crown Ethers Derived from 3,3'-Dimethyl-2,2'-Bithienylene and Preparation of alpha,omega-Bis(3-methylenethienyl) Ethers
Zimmer, Hans; Amer, Adel; Shabana, R.; Ho, Douglas; Mark, Jr., Harry B.; Sudsuansri, Kobkul; Striley, Cindy; Acta Chemica Scandinavica 47 (1993) 184–190; doi:10.3891/acta.chem.scand.47-0184

data_1558920
_publ_section_title
;
 Synthesis of Novel Crown Ethers Derived from
 3,3'-Dimethyl-2,2'-Bithienylene and Preparation of
 alpha,omega-Bis(3-methylenethienyl) Ethers
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              184
_journal_page_last               190
_journal_paper_doi               10.3891/acta.chem.scand.47-0184
_journal_volume                  47
_journal_year                    1993
_chemical_formula_sum            'C24 H24 O4 S4'
_chemical_formula_weight         504.69
_chemical_name_common
;
7,9,10,12,19,21,22,24-octahydrotetrathieno[3,2-f:2',3'-h:3",2"-p:2"',3"'-r]
[1,4,11,14] tetraoxacycloicosine
;
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.
_cell_angle_beta                 120.76(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   18.128(3)
_cell_length_b                   10.643(2)
_cell_length_c                   14.561(3)
_cell_volume                     2414.1(8)
_diffrn_ambient_temperature      294
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.368
_exptl_crystal_density_diffrn    1.39
_exptl_crystal_F_000             1056
_refine_ls_goodness_of_fit_ref   1.25
_refine_ls_number_parameters     193
_refine_ls_number_reflns         980
_refine_ls_R_factor_gt           0.0341
_refine_ls_wR_factor_gt          0.0310
_cod_data_source_file            Acta-Chem-Scand-1993-47-184-2.cif
_cod_data_source_block           2
_cod_original_cell_volume        2414.0(6)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1558920
The Preparation and Crystal Structure of fac-[Ir(tacn)Cl3] (tacn = 1,4,7-triazacyclononane) and the Preparation of Cs[Ir(H2O)6](SO4)2.6H2O
Gajhede, Michael; Simonsen, Kim; Skov, Lars Kobberoe; Acta Chemica Scandinavica 47 (1993) 271–274; doi:10.3891/acta.chem.scand.47-0271

data_1558921
_publ_section_title
;
 The Preparation and Crystal Structure of fac-[Ir(tacn)Cl3] (tacn =
 1,4,7-triazacyclononane) and the Preparation of Cs[Ir(H2O)6](SO4)2.6H2O
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              271
_journal_page_last               274
_journal_paper_doi               10.3891/acta.chem.scand.47-0271
_journal_volume                  47
_journal_year                    1993
_chemical_formula_sum            'C6 H15 Cl3 Ir N3'
_chemical_formula_weight         427.77
_chemical_name_common
;
fac-[Ir(tacn)Cl3] (tacn = 1,4,7-triazacyclononane)
;
_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_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   12.0487(15)
_cell_length_b                   7.969(2)
_cell_length_c                   10.9735(11)
_cell_volume                     1053.6(3)
_diffrn_ambient_temperature      122
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    13.353
_exptl_crystal_density_diffrn    2.6
_exptl_crystal_F_000             755
_refine_ls_goodness_of_fit_ref   2.109
_refine_ls_number_parameters     117
_refine_ls_number_reflns         3800
_refine_ls_R_factor_gt           0.026
_refine_ls_wR_factor_gt          0.031
_cod_data_source_file            Acta-Chem-Scand-1993-47-271.cif
_cod_data_source_block           1
_cod_original_formula_sum        'C6 H15 N3 Cl3 Ir'
_cod_database_code               1558921
The Crystal Structures of 2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-thiadiazine and 2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-selenadiazine
Szulzewsky, Klaus; Pfeiffer, Wolf-Diethard; Bulka, Ehrenfried; Rossberg, Harald; Schulz, Burghard; Acta Chemica Scandinavica 47 (1993) 302–306; doi:10.3891/acta.chem.scand.47-0302

data_1558922
_publ_section_title
;
 The Crystal Structures of
 2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-thiadiazine and
 2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-selenadiazine
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              302
_journal_page_last               306
_journal_paper_doi               10.3891/acta.chem.scand.47-0302
_journal_volume                  47
_journal_year                    1993
_chemical_formula_sum            'C13 H17 N3 S'
_chemical_formula_weight         247.3
_chemical_name_common
;
2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-thiadiazine 
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.
_cell_angle_beta                 109.85(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   15.019(3)
_cell_length_b                   9.918(3)
_cell_length_c                   9.341(2)
_cell_volume                     1308.7(6)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.228
_exptl_crystal_density_diffrn    1.255
_exptl_crystal_F_000             528
_refine_ls_number_reflns         3013
_refine_ls_R_factor_gt           0.077
_cod_data_source_file            Acta-Chem-Scand-1993-47-302-1.cif
_cod_data_source_block           1
_cod_original_cell_volume        1308.7(9)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               1558922
The Crystal Structures of 2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-thiadiazine and 2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-selenadiazine
Szulzewsky, Klaus; Pfeiffer, Wolf-Diethard; Bulka, Ehrenfried; Rossberg, Harald; Schulz, Burghard; Acta Chemica Scandinavica 47 (1993) 302–306; doi:10.3891/acta.chem.scand.47-0302

data_1558923
_publ_section_title
;
 The Crystal Structures of
 2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-thiadiazine and
 2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-selenadiazine
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              302
_journal_page_last               306
_journal_paper_doi               10.3891/acta.chem.scand.47-0302
_journal_volume                  47
_journal_year                    1993
_chemical_formula_sum            'C13 H17 N3 Se'
_chemical_formula_weight         294.3
_chemical_name_common
;
2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-selenadiazine
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.
_cell_angle_beta                 107.79(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   19.533(3)
_cell_length_b                   6.079(2)
_cell_length_c                   12.241(2)
_cell_volume                     1384.0(6)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.902
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_F_000             600
_refine_ls_number_reflns         2681
_refine_ls_R_factor_gt           0.067
_cod_data_source_file            Acta-Chem-Scand-1993-47-302-2.cif
_cod_data_source_block           2
_cod_original_cell_volume        1382.6(9)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               1558923
The Unexpected Formation of 3,4,7,8-Tetramethyl-1,2,5,6-tetrahydrodicyclobuta[a,e]cyclooctene from a Zirconacyclopentadiene
Spence, Rupert E. v. H.; Buchwald, Stephen L.; Richardson, John F.; Acta Chemica Scandinavica 47 (1993) 326–329; doi:10.3891/acta.chem.scand.47-0326

data_1558924
_publ_section_title
;
 The Unexpected Formation of
 3,4,7,8-Tetramethyl-1,2,5,6-tetrahydrodicyclobuta[a,e]cyclooctene from a
 Zirconacyclopentadiene
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              326
_journal_page_last               329
_journal_paper_doi               10.3891/acta.chem.scand.47-0326
_journal_volume                  47
_journal_year                    1993
_chemical_formula_sum            'C16 H20'
_chemical_formula_weight         212.34
_chemical_name_common
;
3,4,7,8-Tetramethyl-1,2,5,6-tetrahydrodicyclobuta[a,e]cyclooctene
;
_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_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                 108.98(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   12.588(2)
_cell_length_b                   7.843(1)
_cell_length_c                   13.804(2)
_cell_volume                     1288.7(4)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.06
_exptl_crystal_density_diffrn    1.09
_exptl_crystal_F_000             464
_refine_ls_goodness_of_fit_ref   1.13
_refine_ls_number_parameters     206
_refine_ls_number_reflns         1399
_refine_ls_R_factor_gt           0.046
_refine_ls_wR_factor_gt          0.043
_cod_data_source_file            Acta-Chem-Scand-1993-47-326.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1558924
Photochemical Nitration by Tetranitromethane. VIII. Isolation, X-Ray Structural Analysis and Chemical Properties of a Vicinal Nitro/trinitromethyl Adduct from Fluoranthene
Eberson, Lennart; Hartshorn, Michael P.; Radner, Finn; Robinson, Ward T.; Acta Chemica Scandinavica 47 (1993) 410–415; doi:10.3891/acta.chem.scand.47-0410

data_1558925
_publ_section_title
;
 Photochemical Nitration by Tetranitromethane. VIII. Isolation, X-Ray
 Structural Analysis and Chemical Properties of a Vicinal
 Nitro/trinitromethyl Adduct from Fluoranthene
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              410
_journal_page_last               415
_journal_paper_doi               10.3891/acta.chem.scand.47-0410
_journal_volume                  47
_journal_year                    1993
_chemical_formula_sum            'C17 H10 N4 O8'
_chemical_formula_weight         398.29
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.
_cell_angle_beta                 103.84(4)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   11.124(25)
_cell_length_b                   6.286(4)
_cell_length_c                   11.856(4)
_cell_volume                     805.0(19)
_diffrn_ambient_temperature      123
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.134
_exptl_crystal_density_diffrn    1.06
_exptl_crystal_F_000             398
_refine_ls_number_reflns         1452
_refine_ls_R_factor_gt           0.069
_refine_ls_wR_factor_ref         0.178
_cod_data_source_file            Acta-Chem-Scand-1993-47-410.cif
_cod_data_source_block           1
_cod_original_cell_volume        805.0(16)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               1558925
Crystal Structures of Rh2(CO)4(mu-SPh)2 and Rh2(CO)4(mu-SEt)2
Pursiainen, Jouni; Teppana, Tiina; Rossi, Sirpa; Pakkanen, Tapani A.; Acta Chemica Scandinavica 47 (1993) 416–418; doi:10.3891/acta.chem.scand.47-0416

data_1558926
_publ_section_title
;
 Crystal Structures of Rh2(CO)4(mu-SPh)2 and Rh2(CO)4(mu-SEt)2
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              416
_journal_page_last               418
_journal_paper_doi               10.3891/acta.chem.scand.47-0416
_journal_volume                  47
_journal_year                    1993
_chemical_formula_sum            'C16 H10 O4 Rh2 S2'
_chemical_formula_weight         536.19
_chemical_name_common
;
Rh2(CO)4(SPh)2
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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                 103.86(5)
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   24.38(1)
_cell_length_b                   9.002(5)
_cell_length_c                   17.44(1)
_cell_volume                     3716(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.98
_exptl_crystal_density_diffrn    1.917
_exptl_crystal_F_000             2010
_refine_ls_number_parameters     433
_refine_ls_number_reflns         3303
_refine_ls_R_factor_gt           0.0529
_refine_ls_wR_factor_gt          0.0593
_cod_data_source_file            Acta-Chem-Scand-1993-47-416-1.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1558926