LMucko/crystallography-open-database huggingface dataset:
Crystal Structure of the 1:1 Complex Between Mesitylene and Fluoranil. Analysis of Stacking Interactions in Complexes Containing Fluoranil
Dahl, Tor; Acta Chemica Scandinavica 52 (1998) 1006–1009; doi:10.3891/acta.chem.scand.52-1006

data_1556954
_publ_section_title
;
 Crystal Structure of the 1:1 Complex Between Mesitylene and Fluoranil.
 Analysis of Stacking Interactions in Complexes Containing Fluoranil
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1006
_journal_page_last               1009
_journal_paper_doi               10.3891/acta.chem.scand.52-1006
_journal_volume                  52
_journal_year                    1998
_chemical_formula_moiety         'C9 H12, C6 F4 O2'
_chemical_formula_sum            'C15 H12 F4 O2'
_chemical_formula_weight         300.25
_chemical_name_common            mesitylene-fluoranil
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.
_cell_angle_beta                 103.95(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   6.849(2)
_cell_length_b                   13.452(2)
_cell_length_c                   8.072(2)
_cell_volume                     721.8(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    1.071
_exptl_crystal_density_diffrn    1.382
_refine_ls_number_reflns         306
_refine_ls_R_factor_gt           0.074
_refine_ls_wR_factor_gt          0.076
_cod_data_source_file            Acta-Chem-Scand-1998-52-1006.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               1556954
Synthesis of Open-Chain Schiff-Base Ligand 1,3-Di(pyridine-2-carboxaldimino)propane Incorporating Nitrogen-Donor Atoms and Crystal Structures of Its CoII, CuII and ZnII Complexes
Jantti, Anu; Rissanen, Kari; Valkonen, Jussi; Acta Chemica Scandinavica 52 (1998) 1010–1016; doi:10.3891/acta.chem.scand.52-1010

data_1556955
_publ_section_title
;
 Synthesis of Open-Chain Schiff-Base Ligand
 1,3-Di(pyridine-2-carboxaldimino)propane Incorporating Nitrogen-Donor
 Atoms and Crystal Structures of Its CoII, CuII and ZnII Complexes
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1010
_journal_page_last               1016
_journal_paper_doi               10.3891/acta.chem.scand.52-1010
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C15 H20 Cl2 Co N4 O10'
_chemical_formula_weight         546.18
_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                80.11(2)
_cell_angle_beta                 83.69(3)
_cell_angle_gamma                80.46(2)
_cell_formula_units_Z            2
_cell_length_a                   8.076(2)
_cell_length_b                   10.129(2)
_cell_length_c                   13.894(5)
_cell_volume                     1100.3(5)
_diffrn_ambient_temperature      180
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.082
_exptl_crystal_density_diffrn    1.649
_exptl_crystal_F_000             558
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_number_parameters     300
_refine_ls_number_reflns         3892
_refine_ls_R_factor_all          0.1325
_refine_ls_R_factor_gt           0.0831
_refine_ls_wR_factor_gt          0.2189
_refine_ls_wR_factor_ref         0.2769
_cod_data_source_file            Acta-Chem-Scand-1998-52-1010-1.cif
_cod_data_source_block           1
_cod_database_code               1556955
Synthesis of Open-Chain Schiff-Base Ligand 1,3-Di(pyridine-2-carboxaldimino)propane Incorporating Nitrogen-Donor Atoms and Crystal Structures of Its CoII, CuII and ZnII Complexes
Jantti, Anu; Rissanen, Kari; Valkonen, Jussi; Acta Chemica Scandinavica 52 (1998) 1010–1016; doi:10.3891/acta.chem.scand.52-1010

data_1556956
_publ_section_title
;
 Synthesis of Open-Chain Schiff-Base Ligand
 1,3-Di(pyridine-2-carboxaldimino)propane Incorporating Nitrogen-Donor
 Atoms and Crystal Structures of Its CoII, CuII and ZnII Complexes
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1010
_journal_page_last               1016
_journal_paper_doi               10.3891/acta.chem.scand.52-1010
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C15 H16 Cl2 Cu N4 O8'
_chemical_formula_weight         514.76
_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                 110.34(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   14.419(3)
_cell_length_b                   7.118(3)
_cell_length_c                   19.704(3)
_cell_volume                     1896.2(9)
_diffrn_ambient_temperature      180
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.489
_exptl_crystal_density_diffrn    1.803
_exptl_crystal_F_000             1044
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_number_parameters     271
_refine_ls_number_reflns         3335
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0378
_refine_ls_wR_factor_gt          0.1156
_refine_ls_wR_factor_ref         0.1244
_cod_data_source_file            Acta-Chem-Scand-1998-52-1010-2.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1556956
Synthesis of Open-Chain Schiff-Base Ligand 1,3-Di(pyridine-2-carboxaldimino)propane Incorporating Nitrogen-Donor Atoms and Crystal Structures of Its CoII, CuII and ZnII Complexes
Jantti, Anu; Rissanen, Kari; Valkonen, Jussi; Acta Chemica Scandinavica 52 (1998) 1010–1016; doi:10.3891/acta.chem.scand.52-1010

data_1556957
_publ_section_title
;
 Synthesis of Open-Chain Schiff-Base Ligand
 1,3-Di(pyridine-2-carboxaldimino)propane Incorporating Nitrogen-Donor
 Atoms and Crystal Structures of Its CoII, CuII and ZnII Complexes
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1010
_journal_page_last               1016
_journal_paper_doi               10.3891/acta.chem.scand.52-1010
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C15 H16 Cl2 N4 O8 Zn'
_chemical_formula_weight         516.59
_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                82.13(2)
_cell_angle_beta                 83.10(2)
_cell_angle_gamma                75.56(2)
_cell_formula_units_Z            4
_cell_length_a                   8.748(2)
_cell_length_b                   9.169(2)
_cell_length_c                   25.081(6)
_cell_volume                     1922.1(8)
_diffrn_ambient_temperature      180
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.61
_exptl_crystal_density_diffrn    1.785
_exptl_crystal_F_000             1018
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_number_parameters     527
_refine_ls_number_reflns         6739
_refine_ls_R_factor_all          0.0574
_refine_ls_R_factor_gt           0.0453
_refine_ls_wR_factor_gt          0.1028
_refine_ls_wR_factor_ref         0.1113
_cod_data_source_file            Acta-Chem-Scand-1998-52-1010-3.cif
_cod_data_source_block           3
_cod_database_code               1556957
Preparation and Characterization of cis- and trans-[Ir(tn)2Cl2]CF3SO3 and of [Ir(tn)3]Cl3 (tn = propane-1,3-diamine)
Brorson, Michael; Galsbol, Frode; Simonsen, Kim; Skov, Lars K.; Sotofte, Inger; Acta Chemica Scandinavica 52 (1998) 1017–1023; doi:10.3891/acta.chem.scand.52-1017

data_1556958
_publ_section_title
;
 Preparation and Characterization of cis- and trans-[Ir(tn)2Cl2]CF3SO3 and
 of [Ir(tn)3]Cl3 (tn = propane-1,3-diamine)
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1017
_journal_page_last               1023
_journal_paper_doi               10.3891/acta.chem.scand.52-1017
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C15 H40 Co Ir N12 O5'
_chemical_formula_weight         719.69
_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                89.40(3)
_cell_angle_beta                 101.05(3)
_cell_angle_gamma                99.20(3)
_cell_formula_units_Z            2
_cell_length_a                   8.467(3)
_cell_length_b                   9.022(3)
_cell_length_c                   18.303(5)
_cell_volume                     1354.3(8)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    14.59
_exptl_crystal_density_diffrn    1.76
_exptl_crystal_F_000             716
_refine_ls_goodness_of_fit_ref   1.09
_refine_ls_number_parameters     309
_refine_ls_number_reflns         2844
_refine_ls_R_factor_gt           0.0887
_refine_ls_wR_factor_ref         0.3308
_cod_data_source_file            Acta-Chem-Scand-1998-52-1017.cif
_cod_data_source_block           1
_cod_original_formula_sum        'C15 H40 N12 O5 Co Ir'
_cod_database_code               1556958
Synthesis and Single-Crystal Structure of an Unusual Heptacoordinate Cadmium(II) Complex, [Cd(medien)(NO3)2] (medien = bis(2-aminoethyl)methylamine)
Mondal, Arunendu; Chaudhuri, Siddhartha; Ghosh, Ashutosh; Laskar, Inamur Rahaman; Chaudhuri, Nirmalendu Ray; Acta Chemica Scandinavica 52 (1998) 1064–1067; doi:10.3891/acta.chem.scand.52-1064

data_1556959
_publ_section_title
;
 Synthesis and Single-Crystal Structure of an Unusual Heptacoordinate
 Cadmium(II) Complex, [Cd(medien)(NO3)2] (medien =
 bis(2-aminoethyl)methylamine)
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1064
_journal_page_last               1067
_journal_paper_doi               10.3891/acta.chem.scand.52-1064
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C5 H15 Cd N5 O6'
_chemical_formula_weight         353.6
_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                90.449(8)
_cell_angle_beta                 89.862(8)
_cell_angle_gamma                114.770(13)
_cell_formula_units_Z            2
_cell_length_a                   8.026(1)
_cell_length_b                   8.113(1)
_cell_length_c                   10.321(1)
_cell_volume                     610.20(14)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.82
_exptl_crystal_density_diffrn    1.925
_exptl_crystal_F_000             352
_refine_ls_goodness_of_fit_ref   1.169
_refine_ls_number_reflns         2032
_refine_ls_R_factor_gt           0.0438
_refine_ls_wR_factor_gt          0.1150
_cod_data_source_file            Acta-Chem-Scand-1998-52-1064.cif
_cod_data_source_block           1
_cod_original_cell_volume        610.2(2)
_cod_original_formula_sum        'C5 H15 N5 O6 Cd'
_cod_database_code               1556959
Stereochemistry of Dimerisation of Indole-3-acetic Acid and its Propyl Ester
Fatum, Tine M.; Anthoni, Uffe; Christophersen, Carsten; Nielsen, Per Halfdan; Acta Chemica Scandinavica 52 (1998) 784–789; doi:10.3891/acta.chem.scand.52-0784

data_1556960
_publ_section_title
;
 Stereochemistry of Dimerisation of Indole-3-acetic Acid and its Propyl
 Ester
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              784
_journal_page_last               789
_journal_paper_doi               10.3891/acta.chem.scand.52-0784
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C20 H16 N2 O3'
_chemical_formula_weight         332.35
_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                 111.72(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   11.200(3)
_cell_length_b                   10.0306(12)
_cell_length_c                   15.005(3)
_cell_volume                     1566.0(6)
_diffrn_ambient_temperature      122
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.783
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_F_000             696
_refine_ls_number_reflns         2976
_refine_ls_R_factor_gt           0.0369
_cod_data_source_file            Acta-Chem-Scand-1998-52-784.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1556960
Syntheses and Reactions of Some Cyclopropyl-Substituted Imines. Part 1.
Songe, Pal; Kolsaker, Per; Romming, Christian; Acta Chemica Scandinavica 52 (1998) 790–796; doi:10.3891/acta.chem.scand.52-0790

data_1556961
_publ_section_title
;
 Syntheses and Reactions of Some Cyclopropyl-Substituted Imines. Part 1.
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              790
_journal_page_last               796
_journal_paper_doi               10.3891/acta.chem.scand.52-0790
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C22 H29 N3'
_chemical_formula_weight         335.48
_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                 97.01(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   9.381(4)
_cell_length_b                   10.940(1)
_cell_length_c                   17.856(1)
_cell_volume                     1818.8(8)
_diffrn_ambient_temperature      150
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.073
_exptl_crystal_density_diffrn    1.225
_exptl_crystal_F_000             728
_refine_ls_goodness_of_fit_ref   1.05
_refine_ls_number_parameters     342
_refine_ls_number_reflns         6810
_refine_ls_R_factor_all          0.069
_refine_ls_R_factor_gt           0.053
_refine_ls_wR_factor_gt          0.127
_refine_ls_wR_factor_ref         0.138
_cod_data_source_file            Acta-Chem-Scand-1998-52-790-1.cif
_cod_data_source_block           1
_cod_original_cell_volume        1819.34(8)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1556961
Syntheses and Reactions of Some Cyclopropyl-Substituted Imines. Part 1.
Songe, Pal; Kolsaker, Per; Romming, Christian; Acta Chemica Scandinavica 52 (1998) 790–796; doi:10.3891/acta.chem.scand.52-0790

data_1556962
_publ_section_title
;
 Syntheses and Reactions of Some Cyclopropyl-Substituted Imines. Part 1.
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              790
_journal_page_last               796
_journal_paper_doi               10.3891/acta.chem.scand.52-0790
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C18 H24 N2'
_chemical_formula_weight         268.39
_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                 92.71(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   9.526(1)
_cell_length_b                   16.086(1)
_cell_length_c                   9.672(1)
_cell_volume                     1480.4(2)
_diffrn_ambient_temperature      150
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.071
_exptl_crystal_density_diffrn    1.204
_exptl_crystal_F_000             584
_refine_ls_goodness_of_fit_ref   1.15
_refine_ls_number_parameters     181
_refine_ls_number_reflns         8708
_refine_ls_R_factor_all          0.050
_refine_ls_R_factor_gt           0.046
_refine_ls_wR_factor_gt          0.117
_refine_ls_wR_factor_ref         0.122
_cod_data_source_file            Acta-Chem-Scand-1998-52-790-2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
Probably some wrong coordinates for C6 or C14
;
_cod_original_cell_volume        1480.43(6)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1556962
Synthesis and Crystal Structure of the Copper(II) Complex of 1-Methyl-4,7,10-(2-pyridylmethyl)-1,4,7,10-tetraazacyclododecane (L), [CuL]2+
Bu, Xian-He; Chen, Wei; Fang, Ya-Yin; Lu, Shou-Liang; Wang, Chang-Feng; Zhang, Ruo-Hua; Acta Chemica Scandinavica 52 (1998) 813–815; doi:10.3891/acta.chem.scand.52-0813

data_1556963
_publ_section_title
;
 Synthesis and Crystal Structure of the Copper(II) Complex of
 1-Methyl-4,7,10-(2-pyridylmethyl)-1,4,7,10-tetraazacyclododecane (L),
 [CuL]2+
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              813
_journal_page_last               815
_journal_paper_doi               10.3891/acta.chem.scand.52-0813
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C27 H37 Cl2 Cu N7 O8'
_chemical_formula_weight         722.08
_space_group_IT_number           33
_space_group_name_Hall           'P -2n 2a'
_space_group_name_H-M_alt        'P 21 c n'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P -2n 2a'
_symmetry_space_group_name_H-M   'P 21 c n'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   10.175(2)
_cell_length_b                   15.191(3)
_cell_length_c                   20.790(4)
_cell_volume                     3213.5(11)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.9037
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_F_000             1500
_refine_ls_number_reflns         1978
_refine_ls_R_factor_gt           0.072
_refine_ls_wR_factor_gt          0.074
_cod_data_source_file            Acta-Chem-Scand-1998-52-813.cif
_cod_data_source_block           1
_cod_original_formula_sum        'C27 H37 N7 Cl2 O8 Cu'
_cod_database_code               1556963
Coordination Between Lead and Oxydiacetic Acid
Svensson, Goran; Olson, Solveig; Albertsson, Jorgen; Acta Chemica Scandinavica 52 (1998) 868–872; doi:10.3891/acta.chem.scand.52-0868

data_1556964
_publ_section_title
;
 Coordination Between Lead and Oxydiacetic Acid
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              868
_journal_page_last               872
_journal_paper_doi               10.3891/acta.chem.scand.52-0868
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C12 H14 N2 O22 Pb4'
_chemical_formula_weight         1367.04
_space_group_IT_number           57
_space_group_name_Hall           '-P 2c 2b'
_space_group_name_H-M_alt        'P b c m'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   9.309(2)
_cell_length_b                   8.4023(14)
_cell_length_c                   34.331(6)
_cell_volume                     2685.3(9)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    25.2
_exptl_crystal_density_diffrn    3.426
_refine_ls_goodness_of_fit_ref   1.06
_refine_ls_number_parameters     154
_refine_ls_number_reflns         2701
_refine_ls_R_factor_gt           0.055
_refine_ls_wR_factor_gt          0.160
_cod_data_source_file            Acta-Chem-Scand-1998-52-868.cif
_cod_data_source_block           1
_cod_depositor_comments
;
Formula :   Pb4(C4H4O5)3(NO3)2.H2O
;
_cod_original_cell_volume        2685.4(8)
_cod_original_formula_sum        'C12 H14 O22 N2 Pb4'
_cod_database_code               1556964