LMucko/crystallography-open-database huggingface dataset:
Structural and Magnetic Characterization of Manganese(III) Complexes of 1,4,8,11-Tetraazacyclotetradecane (Cyclam)
Daugherty, Patricia A.; Glerup, Jorgen; Goodson, Patricia A.; Hodgson, Derek J.; Michelsen, Kirsten; Acta Chemica Scandinavica 45 (1991) 244–253; doi:10.3891/acta.chem.scand.45-0244

data_1559453
_publ_section_title
;
 Structural and Magnetic Characterization of Manganese(III) Complexes of
 1,4,8,11-Tetraazacyclotetradecane (Cyclam)
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              244
_journal_page_last               253
_journal_paper_doi               10.3891/acta.chem.scand.45-0244
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'C10 H24 Cl2 Mn N5 O3'
_chemical_formula_weight         388.172
_chemical_name_common
;
[Mn(cyclam)Cl2]NO3
;
_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                 101.70(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   6.547(2)
_cell_length_b                   13.698(4)
_cell_length_c                   9.376(2)
_cell_volume                     823.4(4)
_diffrn_ambient_temperature      294
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.11
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_F_000             404
_refine_ls_goodness_of_fit_ref   1.34
_refine_ls_number_reflns         1909
_refine_ls_R_factor_gt           0.0255
_refine_ls_wR_factor_gt          0.0283
_cod_data_source_file            Acta-Chem-Scand-1991-45-244-2.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1559453
Structural and Magnetic Characterization of Manganese(III) Complexes of 1,4,8,11-Tetraazacyclotetradecane (Cyclam)
Daugherty, Patricia A.; Glerup, Jorgen; Goodson, Patricia A.; Hodgson, Derek J.; Michelsen, Kirsten; Acta Chemica Scandinavica 45 (1991) 244–253; doi:10.3891/acta.chem.scand.45-0244

data_1559454
_publ_section_title
;
 Structural and Magnetic Characterization of Manganese(III) Complexes of
 1,4,8,11-Tetraazacyclotetradecane (Cyclam)
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              244
_journal_page_last               253
_journal_paper_doi               10.3891/acta.chem.scand.45-0244
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'C10 H24 Br3 Mn N4'
_chemical_formula_weight         494.973
_chemical_name_common
;
[Mn(cyclam)Br2]Br
;
_space_group_IT_number           84
_space_group_name_Hall           '-P 4c'
_space_group_name_H-M_alt        'P 42/m'
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      84
_symmetry_space_group_name_Hall  '-P 4c'
_symmetry_space_group_name_H-M   'P 42/m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   7.971(2)
_cell_length_b                   7.971(2)
_cell_length_c                   13.002(4)
_cell_volume                     826.1(4)
_diffrn_ambient_temperature      294
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    7.95
_exptl_crystal_density_diffrn    1.990
_exptl_crystal_F_000             484
_refine_ls_goodness_of_fit_ref   0.67
_refine_ls_number_reflns         664
_refine_ls_R_factor_gt           0.0589
_refine_ls_wR_factor_gt          0.0773
_cod_data_source_file            Acta-Chem-Scand-1991-45-244-3.cif
_cod_data_source_block           3
_cod_original_cell_volume        826.2(3)
_cod_original_formula_sum        'C10 H24 Mn N4 Br3'
_cod_database_code               1559454
Structural and Magnetic Characterization of Manganese(III) Complexes of 1,4,8,11-Tetraazacyclotetradecane (Cyclam)
Daugherty, Patricia A.; Glerup, Jorgen; Goodson, Patricia A.; Hodgson, Derek J.; Michelsen, Kirsten; Acta Chemica Scandinavica 45 (1991) 244–253; doi:10.3891/acta.chem.scand.45-0244

data_1559455
_publ_section_title
;
 Structural and Magnetic Characterization of Manganese(III) Complexes of
 1,4,8,11-Tetraazacyclotetradecane (Cyclam)
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              244
_journal_page_last               253
_journal_paper_doi               10.3891/acta.chem.scand.45-0244
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'C13 H24 Mn N7 S3'
_chemical_formula_weight         429.509
_chemical_name_common
;
[Mn(cyclam)(NCS)2]NCS
;
_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                 99.004(16)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   10.767(2)
_cell_length_b                   12.940(4)
_cell_length_c                   14.441(3)
_cell_volume                     1987.2(8)
_diffrn_ambient_temperature      294
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.95
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_F_000             896
_refine_ls_goodness_of_fit_ref   1.06
_refine_ls_number_reflns         1764
_refine_ls_R_factor_gt           0.0349
_refine_ls_wR_factor_gt          0.0393
_cod_data_source_file            Acta-Chem-Scand-1991-45-244-4.cif
_cod_data_source_block           1
_cod_original_cell_volume        1987.2(6)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1559455
Hydrogen Bonding and Stereochemistry of Ring-Hydroxylated Aromatic Aldehyde Oximes. Crystal Structures of Three 4-OH-Substituted Benzaldehyde Oximes
Jerslev, Bodil; Larsen, Sine; Acta Chemica Scandinavica 45 (1991) 285–291; doi:10.3891/acta.chem.scand.45-0285

data_1559456
_publ_section_title
;
 Hydrogen Bonding and Stereochemistry of Ring-Hydroxylated Aromatic
 Aldehyde Oximes. Crystal Structures of Three 4-OH-Substituted
 Benzaldehyde Oximes
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              285
_journal_page_last               291
_journal_paper_doi               10.3891/acta.chem.scand.45-0285
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'C7 H9 N O3'
_chemical_formula_weight         155.15
_chemical_name_common
;
4-Hydroxybenzaldehyde oxime monohydrate
;
_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                 109.17(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   9.626(3)
_cell_length_b                   3.838(3)
_cell_length_c                   10.745(3)
_cell_volume                     375.0(3)
_diffrn_ambient_temperature      110
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.1014
_exptl_crystal_density_diffrn    1.374
_exptl_crystal_F_000             155
_refine_ls_goodness_of_fit_ref   1.1
_refine_ls_number_parameters     99
_refine_ls_number_reflns         1108
_refine_ls_R_factor_gt           0.055
_refine_ls_wR_factor_gt          0.064
_cod_data_source_file            Acta-Chem-Scand-1991-45-285-1.cif
_cod_data_source_block           1
_cod_original_cell_volume        375.0(5)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               1559456
Hydrogen Bonding and Stereochemistry of Ring-Hydroxylated Aromatic Aldehyde Oximes. Crystal Structures of Three 4-OH-Substituted Benzaldehyde Oximes
Jerslev, Bodil; Larsen, Sine; Acta Chemica Scandinavica 45 (1991) 285–291; doi:10.3891/acta.chem.scand.45-0285

data_1559457
_publ_section_title
;
 Hydrogen Bonding and Stereochemistry of Ring-Hydroxylated Aromatic
 Aldehyde Oximes. Crystal Structures of Three 4-OH-Substituted
 Benzaldehyde Oximes
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              285
_journal_page_last               291
_journal_paper_doi               10.3891/acta.chem.scand.45-0285
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'C10 H10 N O2'
_chemical_formula_weight         176.20
_chemical_name_common
;
4-Hydroxybenzaldehyde oxime benzene
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                93.33(2)
_cell_angle_beta                 100.88(2)
_cell_angle_gamma                97.40(2)
_cell_formula_units_Z            2
_cell_length_a                   5.696(2)
_cell_length_b                   6.2559(14)
_cell_length_c                   12.651(2)
_cell_volume                     437.4(2)
_diffrn_ambient_temperature      110
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.7316
_exptl_crystal_density_diffrn    1.338
_exptl_crystal_F_000             176
_refine_ls_goodness_of_fit_ref   1.7
_refine_ls_number_parameters     148
_refine_ls_number_reflns         1402
_refine_ls_R_factor_gt           0.039
_refine_ls_wR_factor_gt          0.054
_cod_data_source_file            Acta-Chem-Scand-1991-45-285-2.cif
_cod_data_source_block           2
_cod_original_cell_volume        437.4(4)
_cod_database_code               1559457
Hydrogen Bonding and Stereochemistry of Ring-Hydroxylated Aromatic Aldehyde Oximes. Crystal Structures of Three 4-OH-Substituted Benzaldehyde Oximes
Jerslev, Bodil; Larsen, Sine; Acta Chemica Scandinavica 45 (1991) 285–291; doi:10.3891/acta.chem.scand.45-0285

data_1559458
_publ_section_title
;
 Hydrogen Bonding and Stereochemistry of Ring-Hydroxylated Aromatic
 Aldehyde Oximes. Crystal Structures of Three 4-OH-Substituted
 Benzaldehyde Oximes
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              285
_journal_page_last               291
_journal_paper_doi               10.3891/acta.chem.scand.45-0285
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'C8 H9 N O3'
_chemical_formula_weight         167.17
_chemical_name_common
;
4-Hydroxy-3-methoxybenzaldehyde oxime, vanillinoxime 
;
_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                 93.930(4)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   6.3720(3)
_cell_length_b                   16.6462(13)
_cell_length_c                   7.5700(3)
_cell_volume                     801.06(8)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.861
_exptl_crystal_density_diffrn    1.386
_exptl_crystal_F_000             325
_refine_ls_goodness_of_fit_ref   1.7
_refine_ls_number_parameters     109
_refine_ls_number_reflns         1146
_refine_ls_R_factor_gt           0.053
_refine_ls_wR_factor_gt          0.073
_cod_data_source_file            Acta-Chem-Scand-1991-45-285-3.cif
_cod_data_source_block           3
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1559458
Crystal Structure of Methyl (2S,3S)-3-Triphenylmethylaminooxolan-2-ylacetate
Papaioannou, Dionissios; Francis, George W.; Maartmann-Moe, Knut; Acta Chemica Scandinavica 45 (1991) 327–328; doi:10.3891/acta.chem.scand.45-0327

data_1559460
_publ_section_title
;
 Crystal Structure of Methyl
 (2S,3S)-3-Triphenylmethylaminooxolan-2-ylacetate
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              327
_journal_page_last               328
_journal_paper_doi               10.3891/acta.chem.scand.45-0327
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'C26 H27 N O3'
_chemical_formula_weight         401.51
_chemical_name_common
;
Methyl (2S,3S)-3-Triphenylmethylaminooxolan-2-ylacetate
;
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   10.165(1)
_cell_length_b                   12.929(1)
_cell_length_c                   16.417(2)
_cell_volume                     2157.6(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.0749
_exptl_crystal_density_diffrn    1.236
_exptl_crystal_F_000             856
_refine_ls_goodness_of_fit_ref   1.42
_refine_ls_number_parameters     379
_refine_ls_number_reflns         1594
_refine_ls_R_factor_gt           0.043
_refine_ls_wR_factor_gt          0.037
_cod_data_source_file            Acta-Chem-Scand-1991-45-327.cif
_cod_data_source_block           1
_cod_database_code               1559460
cis- and trans-Influence on Bond Distances. Synthesis and Crystal Structures of the Bis(trifluoromethanesulfonates) of Tetrakis(dimethyl sulfide)- and Tetrakis(1,4-thioxane)platinum(II)
Bugarcic, Zivadin; Noren, Bertil; Oskarsson, Ake; Stalhandske, Claes; Elding, Lars I.; Acta Chemica Scandinavica 45 (1991) 361–366; doi:10.3891/acta.chem.scand.45-0361

data_1559461
_publ_section_title
;
 cis- and trans-Influence on Bond Distances. Synthesis and Crystal
 Structures of the Bis(trifluoromethanesulfonates) of Tetrakis(dimethyl
 sulfide)- and Tetrakis(1,4-thioxane)platinum(II)
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              361
_journal_page_last               366
_journal_paper_doi               10.3891/acta.chem.scand.45-0361
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'C10 H24 F6 O6 Pt S6'
_chemical_formula_weight         741.74
_chemical_name_common
;
[Pt{(CH3)2S}4](CF3SO3)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                 97.064(9)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   8.5630(8)
_cell_length_b                   8.692(1)
_cell_length_c                   16.360(3)
_cell_volume                     1208.4(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    6.43
_exptl_crystal_density_diffrn    2.038
_refine_ls_goodness_of_fit_ref   0.98
_refine_ls_number_parameters     153
_refine_ls_number_reflns         1922
_refine_ls_R_factor_gt           0.025
_refine_ls_wR_factor_gt          0.033
_cod_data_source_file            Acta-Chem-Scand-1991-45-361-1.cif
_cod_data_source_block           1
_cod_original_cell_volume        1208.4(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1559461
cis- and trans-Influence on Bond Distances. Synthesis and Crystal Structures of the Bis(trifluoromethanesulfonates) of Tetrakis(dimethyl sulfide)- and Tetrakis(1,4-thioxane)platinum(II)
Bugarcic, Zivadin; Noren, Bertil; Oskarsson, Ake; Stalhandske, Claes; Elding, Lars I.; Acta Chemica Scandinavica 45 (1991) 361–366; doi:10.3891/acta.chem.scand.45-0361

data_1559462
_publ_section_title
;
 cis- and trans-Influence on Bond Distances. Synthesis and Crystal
 Structures of the Bis(trifluoromethanesulfonates) of Tetrakis(dimethyl
 sulfide)- and Tetrakis(1,4-thioxane)platinum(II)
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              361
_journal_page_last               366
_journal_paper_doi               10.3891/acta.chem.scand.45-0361
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'C18 H34 F6 O11 Pt S6'
_chemical_formula_weight         927.93
_chemical_name_common
;
[Pt(C4H8OS)4](CF3SO3)2.H2O
;
_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                 126.32(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   14.438(2)
_cell_length_b                   13.016(2)
_cell_length_c                   21.696(3)
_cell_volume                     3285.1(9)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    4.76
_exptl_crystal_density_diffrn    1.876
_refine_ls_goodness_of_fit_ref   0.84
_refine_ls_number_parameters     197
_refine_ls_number_reflns         2268
_refine_ls_R_factor_gt           0.035
_refine_ls_wR_factor_gt          0.050
_cod_data_source_file            Acta-Chem-Scand-1991-45-361-2.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1559462
Structure, Magnetic Susceptibility, and EPR Spectra of a Dimeric Macrocyclic Chromium(III) Complex Bridged by a Single Carbonate Ligand
Bang, E.; Eriksen, J.; Glerup, J.; Monsted, L.; Monsted, O.; Weihe, H.; Acta Chemica Scandinavica 45 (1991) 367–372; doi:10.3891/acta.chem.scand.45-0367

data_1559463
_publ_section_title
;
 Structure, Magnetic Susceptibility, and EPR Spectra of a Dimeric
 Macrocyclic Chromium(III) Complex Bridged by a Single Carbonate Ligand
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              367
_journal_page_last               372
_journal_paper_doi               10.3891/acta.chem.scand.45-0367
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'C21 H58 Cr2 I4 N10 O5'
_chemical_formula_weight         1142.4
_chemical_name_common
;
{trans[Cr(cyclam)(NH3)O]2CO}I4.2H2O
;
_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                 96.45(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   9.368(5)
_cell_length_b                   21.977(5)
_cell_length_c                   19.341(4)
_cell_volume                     3957(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    3.44
_exptl_crystal_density_diffrn    1.819
_exptl_crystal_F_000             2042
_refine_ls_number_parameters     199
_refine_ls_number_reflns         3941
_refine_ls_R_factor_gt           0.042
_refine_ls_wR_factor_gt          0.053
_cod_data_source_file            Acta-Chem-Scand-1991-45-367.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1559463
The Crystal Structure of PbS2O3
Christensen, A. Norlund; Hazell, R. G.; Hewat, A. W.; O Reilly, K. P. J.; Acta Chemica Scandinavica 45 (1991) 469–473; doi:10.3891/acta.chem.scand.45-0469

data_1559464
_publ_section_title
;
 The Crystal Structure of PbS2O3
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              469
_journal_page_last               473
_journal_paper_doi               10.3891/acta.chem.scand.45-0469
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum            'O3 Pb S2'
_chemical_formula_weight         319.328
_chemical_name_common
;
PbS2O3
;
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   7.1801(5)
_cell_length_b                   6.9197(5)
_cell_length_c                   16.1154(13)
_cell_volume                     800.68(10)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     1.5946
_exptl_crystal_density_diffrn    5.298
_exptl_crystal_F_000             260
_pd_proc_ls_prof_R_factor        0.059
_pd_proc_ls_prof_wR_expected     0.048
_pd_proc_ls_prof_wR_factor       0.082
_refine_ls_R_Fsqd_factor         0.084
_refine_ls_R_I_factor            0.135
_cod_data_source_file            Acta-Chem-Scand-1991-45-469-1.cif
_cod_data_source_block           1
_cod_database_code               1559464