LMucko/crystallography-open-database huggingface dataset:
Structure of the cation radical salt 3,8-dimethoxy-1,6-dithiapyrenium hexafluorophosphate
Thorup, N.; Frederiksen, P.; Bechgaard, K.; Acta Crystallographica Section C 48 (1992) 2049–2051; doi:10.1107/S0108270192002683

data_2000479
_publ_section_title
;
 Structure of the cation radical salt 3,8-dimethoxy-1,6-dithiapyrenium
 hexafluorophosphate
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2049
_journal_page_last               2051
_journal_paper_doi               10.1107/S0108270192002683
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C16 H12 O2 S2,F6 P1'
_chemical_formula_sum            'C16 H12 F6 O2 P S2'
_chemical_formula_weight         445.35
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.628(4)
_cell_length_b                   21.495(6)
_cell_length_c                   23.526(6)
_cell_volume                     3352(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.470
_exptl_crystal_density_diffrn    1.765
_exptl_crystal_F_000             1800
_cod_data_source_file            ab0275.cif
_cod_data_source_block           ab0275a
_cod_original_sg_symbol_H-M      'C mca'
_cod_original_formula_sum        'C16 H12 F6 O2 P1 S2'
_cod_database_code               2000479
(5α,6α,7α,11β)-Δ^13,14^-Sophocarpine monohydrate
Khan, M. A.; Burrows, G. E.; Holt, E. M.; Acta Crystallographica Section C 48 (1992) 2051–2053; doi:10.1107/S0108270192003500

data_2000480
_publ_section_title
;
 (5\a,6\a,7\a,11\b)-\D^13,14^-Sophocarpine monohydrate
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2051
_journal_page_last               2053
_journal_paper_doi               10.1107/S0108270192003500
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C15 H22 N2 O1,H2 O1'
_chemical_formula_sum            'C15 H24 N2 O2'
_chemical_formula_weight         264.37
_symmetry_cell_setting           orthorhombic
_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                   10.667(2)
_cell_length_b                   16.552(5)
_cell_length_c                   8.1160(10)
_cell_volume                     1433.0(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.0761
_exptl_crystal_density_diffrn    1.225
_exptl_crystal_F_000             576
_cod_data_source_file            cr0413.cif
_cod_data_source_block           cr0413a
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-22
;
_cod_original_cell_volume        1433.0(6)
_cod_database_code               2000480
Structure cristalline d'un <i>N</i>-azaarylphtalimide à activité anti-inflammatoire, le 2-(4,6-diméthylpyridin-2-yl)-2,3-dihydro-1<i>H</i>-isoindole-1,3-dione
Rodier, N.; Robert, J.-M.; Leblois, D.; Le Baut, G.; Acta Crystallographica Section C 48 (1992) 2053–2054; doi:10.1107/S0108270192002415

data_2000481
_publ_section_title
;
 Structure cristalline d'un <i>N</i>-azaarylphtalimide \`a activit\'e
 anti-inflammatoire, le
 2-(4,6-dim\'ethylpyridin-2-yl)-2,3-dihydro-1<i>H</i>-isoindole-1,3-dione
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2053
_journal_page_last               2054
_journal_paper_doi               10.1107/S0108270192002415
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C15 H12 N2 O2'
_chemical_formula_weight         252.3
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.780(10)
_cell_angle_beta                 119.255(6)
_cell_angle_gamma                103.803(7)
_cell_formula_units_Z            2
_cell_length_a                   7.7464(4)
_cell_length_b                   12.2140(10)
_cell_length_c                   7.8813(9)
_cell_volume                     627.78(11)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.70
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_F_000             264
_cod_data_source_file            pa0274.cif
_cod_data_source_block           pa0274a
_cod_original_cell_volume        627.8(2)
_cod_database_code               2000481
Structure of ibogaine
Soriano-García, M.; Acta Crystallographica Section C 48 (1992) 2055–2057; doi:10.1107/S0108270192002786

data_2000482
_publ_section_title
;
 Structure of ibogaine
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2055
_journal_page_last               2057
_journal_paper_doi               10.1107/S0108270192002786
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C20 H26 N2 O'
_chemical_formula_weight         310.4
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.485(5)
_cell_length_b                   16.892(8)
_cell_length_c                   19.750(6)
_cell_volume                     3498(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.068
_exptl_crystal_density_diffrn    1.18
_exptl_crystal_F_000             1344
_cod_data_source_file            al0529.cif
_cod_data_source_block           al0529a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18
;
_cod_original_cell_volume        3498(2)
_cod_original_formula_sum        'C20 H26 N2 O1'
_cod_database_code               2000482
Structure of 2-[1-(2-carboxyethyl)ethylidene]hydrazinecarbothioamide
Ng, S. W.; Acta Crystallographica Section C 48 (1992) 2057–2058; doi:10.1107/S0108270192002592

data_2000483
_publ_section_title
;
 Structure of 2-[1-(2-carboxyethyl)ethylidene]hydrazinecarbothioamide
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2057
_journal_page_last               2058
_journal_paper_doi               10.1107/S0108270192002592
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C6 H11 N3 O2 S'
_chemical_formula_weight         189.24
_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_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.800(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.652(2)
_cell_length_b                   10.3980(10)
_cell_length_c                   11.135(2)
_cell_volume                     879.7(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    3.18
_exptl_crystal_density_diffrn    1.430
_exptl_crystal_F_000             400
_cod_data_source_file            as0572.cif
_cod_data_source_block           as0572a
_cod_original_formula_sum        'C6 H11 N3 O2 S1'
_cod_database_code               2000483
1,3-Dinitropyrrolo[1,2-<i>b</i>]isoquinoline-5,10-dione
Du, M.-H.; Hitchcock, P. B.; Acta Crystallographica Section C 48 (1992) 2058–2060; doi:10.1107/S0108270192002774

data_2000484
_publ_section_title
;
 1,3-Dinitropyrrolo[1,2-<i>b</i>]isoquinoline-5,10-dione
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2058
_journal_page_last               2060
_journal_paper_doi               10.1107/S0108270192002774
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C12 H5 N3 O6'
_chemical_formula_weight         287.2
_symmetry_cell_setting           orthorhombic
_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                   11.336(2)
_cell_length_b                   10.134(3)
_cell_length_c                   20.275(3)
_cell_volume                     2329.2(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.13
_exptl_crystal_density_diffrn    1.64
_exptl_crystal_F_000             1168
_cod_data_source_file            al0528.cif
_cod_data_source_block           al0528a
_cod_original_cell_volume        2329.2
_cod_database_code               2000484
Structure of 1-[3-(1,1-dimethylethyl)-2-hydroxy-6-methylphenyl]-1-propanone
Bois, C.; Martin, R.; Acta Crystallographica Section C 48 (1992) 2060–2061; doi:10.1107/S0108270192003524

data_2000485
_publ_section_title
;
 Structure of
 1-[3-(1,1-dimethylethyl)-2-hydroxy-6-methylphenyl]-1-propanone
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2060
_journal_page_last               2061
_journal_paper_doi               10.1107/S0108270192003524
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C14 H20 O2'
_chemical_formula_weight         220.3
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 126.990(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.200(2)
_cell_length_b                   7.182(2)
_cell_length_c                   13.758(2)
_cell_volume                     1278.6(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.070
_exptl_crystal_density_diffrn    1.14
_exptl_crystal_F_000             480
_cod_data_source_file            du0326.cif
_cod_data_source_block           du0326a
_cod_database_code               2000485
Structure of an intermediate in the synthesis of corymbolone
Castellano, E. E.; Zukerman-Schpector, J.; Ferraz, H. M. C.; de Souza, A. J. C.; Tenius, B. S. M.; Acta Crystallographica Section C 48 (1992) 2080–2082; doi:10.1107/S0108270192007455

data_2000494
_publ_section_title
;
 Structure of an intermediate in the synthesis of corymbolone
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2080
_journal_page_last               2082
_journal_paper_doi               10.1107/S0108270192007455
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C15 H22 O5'
_chemical_formula_sum            'C15 H22 O5'
_chemical_formula_weight         282.3
_symmetry_cell_setting           monoclinic
_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                 111.60(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.046(2)
_cell_length_b                   12.365(2)
_cell_length_c                   12.065(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    292
_cell_measurement_theta_max      18
_cell_measurement_theta_min      7
_cell_volume                     1393.5(5)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.017
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2167
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        1.3
_diffrn_standards_interval_time  30
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.09
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.346
_exptl_crystal_description       Irregular
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.23
_refine_diff_density_min         -0.22
_refine_ls_goodness_of_fit_obs   1.30
_refine_ls_number_parameters     182
_refine_ls_R_factor_obs          0.055
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_wR_factor_obs         0.062
_reflns_number_observed          1207
_reflns_number_total             2067
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            li1013.cif
_cod_data_source_block           li1013a
_cod_original_cell_volume        1393.6(9)
_cod_database_code               2000494
Diammonium cyclopropane-1,1-dicarboxylate
Bréhin, P.; Kozelka, J.; Bois, C.; Acta Crystallographica Section C 48 (1992) 2094–2096; doi:10.1107/S0108270192006802

data_2000501
_publ_section_title
;
 Diammonium cyclopropane-1,1-dicarboxylate
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2094
_journal_page_last               2096
_journal_paper_doi               10.1107/S0108270192006802
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C5 H4 O4,2(H4 N1)'
_chemical_formula_sum            'C5 H12 N2 O4'
_chemical_formula_weight         164.2
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P c n b'
_atom_type_scat_source           'CRYSTALS (Carruthers \& Watkin, 1985)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.7819(8)
_cell_length_b                   8.069(2)
_cell_length_c                   11.574(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    291
_cell_measurement_theta_max      8.5
_cell_measurement_theta_min      7.5
_cell_volume                     726.8(2)
_diffrn_measurement_device       'Enraf-Nonius CAD-4 '
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            800
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.12
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.50
_exptl_crystal_description       Needle
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.27
_refine_diff_density_min         -0.14
_refine_ls_hydrogen_treatment
'H atoms refined isotropically with an overall U'
_refine_ls_number_parameters     72
_refine_ls_number_reflns         548
_refine_ls_R_factor_obs          0.032
_refine_ls_shift/esd_max         0.14
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.031
_reflns_number_observed          548
_reflns_number_total             640
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            pa1005.cif
_cod_data_source_block           pa1005_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1' was changed to 'unit'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        726.8(4)
_cod_database_code               2000501
Structure of the 1:1 complex of 6,6'-diquinolyl ether with 5,5-diethylbarbituric acid
Liu, H.; Wang, X.; Zhang, X.; Acta Crystallographica Section C 48 (1992) 2096–2098; doi:10.1107/S010827019200828X

data_2000502
_publ_section_title
;
 Structure of the 1:1 complex of 6,6'-diquinolyl ether with
 5,5-diethylbarbituric acid
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2096
_journal_page_last               2098
_journal_paper_doi               10.1107/S010827019200828X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C26 H24 N4 O4'
_chemical_formula_weight         456.51
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           'International Tables (1974)'
_cell_angle_alpha                90
_cell_angle_beta                 105.24(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   24.565(2)
_cell_length_b                   17.750(2)
_cell_length_c                   10.959(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294
_cell_measurement_theta_max      20
_cell_measurement_theta_min      10
_cell_volume                     4610.4(16)
_diffrn_measurement_device       'CAD-4 four-circle'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.017
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5384
_diffrn_reflns_theta_max         27
_diffrn_standards_decay_%        1.5
_diffrn_standards_interval_time  90
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.0846
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.925
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.315
_exptl_crystal_F_000             1920
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.32
_refine_diff_density_min         -0.40
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   3.75
_refine_ls_number_parameters     379
_refine_ls_number_reflns         2657
_refine_ls_R_factor_obs          0.052
_refine_ls_shift/esd_max         0.60
_refine_ls_structure_factor_coef F
_refine_ls_wR_factor_obs         0.047
_reflns_number_observed          2657
_reflns_number_total             4548
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            cr0411.cif
_cod_data_source_block           cr0411_structure_1_of_1
_cod_original_cell_volume        4610.4
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2000502
(<i>E</i>)-Methyl 2-phenyl-2-(3-pyridyl)vinyl sulfide
Metin, J.; Roche, D.; Veschambre, H.; Madesclaire, M.; Acta Crystallographica Section C 48 (1992) 2098–2100; doi:10.1107/S0108270192007339

data_2000503
_publ_section_title
;
 (<i>E</i>)-Methyl 2-phenyl-2-(3-pyridyl)vinyl sulfide
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2098
_journal_page_last               2100
_journal_paper_doi               10.1107/S0108270192007339
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C14 H13 N S'
_chemical_formula_weight         227.33
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2bc'
_symmetry_space_group_name_H-M   'P 1 1 21/b'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                106.400(10)
_cell_formula_units_Z            4
_cell_length_a                   12.326(2)
_cell_length_b                   17.1770(10)
_cell_length_c                   5.906(2)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293
_cell_measurement_theta_max      15
_cell_measurement_theta_min      6
_cell_volume                     1199.6(5)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7792
_diffrn_reflns_theta_max         39.95
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.23
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_density_meas      1.26
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.22
_refine_diff_density_min         -0.23
_refine_ls_goodness_of_fit_obs   2.2
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     197
_refine_ls_number_reflns         2029
_refine_ls_R_factor_obs          0.045
_refine_ls_shift/esd_max         0.02
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.044
_reflns_number_observed          2057
_reflns_observed_criterion       'I>3\s(I), sin\q/\l<0.8'
_cod_data_source_file            du1010.cif
_cod_data_source_block           du1010a
_cod_depositor_comments
;
 Commenting out incorrect symmetry operators:

_cod_original_cell_volume        1199.56
_cod_database_code               2000503