LMucko/crystallography-open-database huggingface dataset:
Structure of the <i>p</i>-nitrobenzoate ester of 3-<i>endo</i>-(<i>p</i>-methoxybenzyl)isoborneol
Suh, I.-H.; Seo, B.-I.; Lewis, D. E.; Jensen, W. P.; Jacobson, R. A.; Acta Crystallographica Section C 49 (1993) 562–565; doi:10.1107/S010827019200787X

data_2001897
_publ_section_title
;
 Structure of the <i>p</i>-nitrobenzoate ester of
 3-<i>endo</i>-(<i>p</i>-methoxybenzyl)isoborneol
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              562
_journal_page_last               565
_journal_paper_doi               10.1107/S010827019200787X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C25 H29 N O5'
_chemical_formula_weight         423.5
_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                   12.104(3)
_cell_length_b                   26.712(5)
_cell_length_c                   7.1380(10)
_cell_volume                     2307.9(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.08
_exptl_crystal_density_diffrn    1.22
_exptl_crystal_F_000             904
_cod_data_source_file            cr1009.cif
_cod_data_source_block           cr1009_structure_1_of_1
_cod_original_cell_volume        2308.0(8)
_cod_original_formula_sum        'C25 H29 N1 O5'
_cod_database_code               2001897
3-Cyano-3-dimethylamino-4-ethoxy-1-phenyl-2-azetidinone
Feneau-Dupont, J.; Declercq, J.-P.; Labille, M. C.; Janousek, Z.; Viehe, H. G.; Acta Crystallographica Section C 49 (1993) 567–569; doi:10.1107/S0108270192008448

data_2001898
_publ_section_title
;
 3-Cyano-3-dimethylamino-4-ethoxy-1-phenyl-2-azetidinone
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              567
_journal_page_last               569
_journal_paper_doi               10.1107/S0108270192008448
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C14 H17 N3 O2'
_chemical_formula_weight         259.3
_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                 91.14(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.105(2)
_cell_length_b                   21.184(5)
_cell_length_c                   11.356(7)
_cell_volume                     1468.4(11)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.663
_exptl_crystal_density_diffrn    1.17
_exptl_crystal_F_000             552
_cod_data_source_file            ha1014.cif
_cod_data_source_block           ha1014_structure_1_of_1
_cod_database_code               2001898
On the crystal structure of bis(dipicolinato)ferrate(III) dihydrate
Marsh, R. E.; Acta Crystallographica Section C 49 (1993) 643–; doi:10.1107/S0108270192011673

data_2001931
_publ_section_title
;
 On the crystal structure of bis(dipicolinato)ferrate(III) dihydrate
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              643
_journal_paper_doi               10.1107/S0108270192011673
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C14 H11 Fe N2 O10'
_chemical_formula_weight         423.09
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.860(8)
_cell_length_b                   11.007(2)
_cell_length_c                   16.316(4)
_cell_volume                     1591.2(15)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.005
_exptl_crystal_density_diffrn    1.76
_cod_data_source_file            bu0317.cif
_cod_data_source_block           bu0317_structure_1_of_1
_cod_original_cell_volume        1591.17
_cod_original_formula_sum        'C14 H11 Fe1 N2 O10'
_cod_database_code               2001931
A new layered ZnIn~2~S~4~-(III<i>a</i>) polytype: structure of FeCr~0.8~Ga~1.2~Se~4~
Lutz, H. D.; Stingl, T.; Acta Crystallographica Section C 49 (1993) 207–209; doi:10.1107/S0108270192006486

data_2001932
_publ_section_title
;
 A new layered ZnIn~2~S~4~-(III<i>a</i>) polytype: structure of
 FeCr~0.8~Ga~1.2~Se~4~
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              207
_journal_page_last               209
_journal_paper_doi               10.1107/S0108270192006486
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Cr Fe Ga Se4'
_chemical_formula_weight         496.95
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_symmetry_cell_setting           trigonal
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            3
_cell_length_a                   3.8284(6)
_cell_length_b                   3.8284(6)
_cell_length_c                   37.914(5)
_cell_volume                     481.24(12)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7093
_exptl_absorpt_coefficient_mu    30.87
_exptl_crystal_density_diffrn    5.14
_exptl_crystal_F_000             655
_cod_data_source_file            sh1004.cif
_cod_data_source_block           sh1004a
_cod_depositor_comments
;
 Correcting the space group by changing it from '-P 3* 2' to '-R 3 2"' after
 consulting the original publication.

 Antanas Vaitkus,
 2017-11-17
;
_cod_original_cell_volume        481.2
_cod_original_sg_symbol_H-M      'R -3 m {rhombohedral axes}'
_cod_original_formula_sum        'Cr1 Fe1 Ga1 Se4'
_cod_database_code               2001932
Structure of strontium lithium indium pyroborate, Sr~2~LiInB~4~O~10~
Schaffers, K. I.; Keszler, D. A.; Acta Crystallographica Section C 49 (1993) 211–214; doi:10.1107/S0108270192006383

data_2001933
_publ_section_title
;
 Structure of strontium lithium indium pyroborate, Sr~2~LiInB~4~O~10~
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              211
_journal_page_last               214
_journal_paper_doi               10.1107/S0108270192006383
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'B4 In Li O10 Sr2'
_chemical_formula_weight         500.23
_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                 116.940(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.6370(10)
_cell_length_b                   5.2510(10)
_cell_length_c                   13.7480(10)
_cell_volume                     813.28(19)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    15.494
_exptl_crystal_density_diffrn    4.085
_exptl_crystal_F_000             912
_cod_data_source_file            st0580.cif
_cod_data_source_block           st0580_structure_1_of_1
_cod_original_cell_volume        813.2(4)
_cod_original_formula_sum        'B4 In1 Li1 O10 Sr2'
_cod_database_code               2001933
Thermal effects in the structure of potassium perrhenate
Brown, R. J. C.; Powell, B. M.; Stuart, S. N.; Acta Crystallographica Section C 49 (1993) 214–216; doi:10.1107/S0108270192003706

data_2001934
_publ_section_title
;
 Thermal effects in the structure of potassium perrhenate
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              214
_journal_page_last               216
_journal_paper_doi               10.1107/S0108270192003706
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'K O4 Re'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.68174(15)
_cell_length_b                   5.68174(15)
_cell_length_c                   12.7118(4)
_cell_volume                     410.36(2)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.49978(9)
_cod_data_source_file            br0017.cif
_cod_data_source_block           br0017_structure_1_of_3
_cod_original_cell_volume        410.36(3)
_cod_original_formula_sum        'K1 O4 Re1'
_cod_database_code               2001934
Thermal effects in the structure of potassium perrhenate
Brown, R. J. C.; Powell, B. M.; Stuart, S. N.; Acta Crystallographica Section C 49 (1993) 214–216; doi:10.1107/S0108270192003706

data_2001935
_publ_section_title
;
 Thermal effects in the structure of potassium perrhenate
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              214
_journal_page_last               216
_journal_paper_doi               10.1107/S0108270192003706
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'K O4 Re'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.66115(11)
_cell_length_b                   5.66115(11)
_cell_length_c                   12.6110(3)
_cell_volume                     404.165(15)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.49978(9)
_cod_data_source_file            br0017.cif
_cod_data_source_block           br0017_structure_2_of_3
_cod_original_cell_volume        404.16(2)
_cod_original_formula_sum        'K1 O4 Re1'
_cod_database_code               2001935
Thermal effects in the structure of potassium perrhenate
Brown, R. J. C.; Powell, B. M.; Stuart, S. N.; Acta Crystallographica Section C 49 (1993) 214–216; doi:10.1107/S0108270192003706

data_2001936
_publ_section_title
;
 Thermal effects in the structure of potassium perrhenate
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              214
_journal_page_last               216
_journal_paper_doi               10.1107/S0108270192003706
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'K O4 Re'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.65029(8)
_cell_length_b                   5.65029(8)
_cell_length_c                   12.5556(2)
_cell_volume                     400.847(10)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.49978(9)
_cod_data_source_file            br0017.cif
_cod_data_source_block           br0017_structure_3_of_3
_cod_original_cell_volume        400.850(10)
_cod_original_formula_sum        'K1 O4 Re1'
_cod_database_code               2001936
Structure of monoclinic zinc <i>n</i>-butanoate
Blair, J.; Howie, R. A.; Wardell, J. L.; Acta Crystallographica Section C 49 (1993) 219–221; doi:10.1107/S0108270192007108

data_2001937
_publ_section_title
;
 Structure of monoclinic zinc <i>n</i>-butanoate
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              219
_journal_page_last               221
_journal_paper_doi               10.1107/S0108270192007108
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C8 H14 O4 Zn1'
_chemical_formula_sum            'C8 H14 O4 Zn'
_chemical_formula_weight         239.568
_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                 90.08(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.48(3)
_cell_length_b                   4.795(4)
_cell_length_c                   9.380(9)
_cell_volume                     1056.1(19)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.36
_exptl_crystal_density_diffrn    1.506
_exptl_crystal_F_000             496
_cod_data_source_file            mu0285.cif
_cod_data_source_block           mu0285_structure_1_of_1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C8 H14 O4 Zn1'
_cod_database_code               2001937
Structure of bis[tris(2-aminoethanethiolato)cobalt(III)-μ-<i>S</i>,μ-<i>S'</i>,μ-<i>S''</i>]nickel(II) chloride trihydrate
Konno, T.; Okamoto, K.; Hidaka, J.; Acta Crystallographica Section C 49 (1993) 222–224; doi:10.1107/S010827019200622X

data_2001938
_publ_section_title
;Structure of
 bis[tris(2-aminoethanethiolato)cobalt(III)-\m-<i>S</i>,\m-<i>S'</i>,\m-<i>S''</i>]nickel(II)
 chloride trihydrate
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              222
_journal_page_last               224
_journal_paper_doi               10.1107/S010827019200622X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C12 H36 Co2 N6 Ni1 S6,2Cl,3(H2 O1)'
_chemical_formula_sum            'C12 H42 Cl2 Co2 N6 Ni O3 S6'
_chemical_formula_weight         758.4
_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                101.290(10)
_cell_angle_beta                 90.080(10)
_cell_angle_gamma                69.14(2)
_cell_formula_units_Z            2
_cell_length_a                   13.624(3)
_cell_length_b                   13.943(3)
_cell_length_c                   8.205(2)
_cell_volume                     1424.3(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70930
_exptl_absorpt_coefficient_mu    2.35
_exptl_crystal_density_diffrn    1.77
_exptl_crystal_F_000             784
_cod_data_source_file            as1008.cif
_cod_data_source_block           as1008a
_cod_original_formula_sum        'C12 H42 Cl2 Co2 N6 Ni1 O3 S6'
_cod_database_code               2001938
Structure of <i>trans</i>-bis[1,2-bis(dimethylphosphino)ethane]dibromoiron(II)
Field, L. D.; Hambley, T. W.; Yau, B. C. K.; Acta Crystallographica Section C 49 (1993) 224–226; doi:10.1107/S0108270192004992

data_2001939
_publ_section_title
;
 Structure of
 <i>trans</i>-bis[1,2-bis(dimethylphosphino)ethane]dibromoiron(II)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              224
_journal_page_last               226
_journal_paper_doi               10.1107/S0108270192004992
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C12 H32 Br2 Fe P4'
_chemical_formula_weight         515.94
_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_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.320(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.739(2)
_cell_length_b                   12.743(2)
_cell_length_c                   9.5330(10)
_cell_volume                     1061.3(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    4.556
_exptl_crystal_density_diffrn    1.615
_exptl_crystal_F_000             520
_cod_data_source_file            hl1006.cif
_cod_data_source_block           hl1006_structure_1_of_1
_cod_original_cell_volume        1061.2
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C12 H32 Br2 Fe1 P4'
_cod_database_code               2001939
Determination of the absolute configuration of sodium (‒)~589~-bis(<i>N</i>-methyliminodiacetato)cobaltate(III) trihydate
Yamasaki, Y.; Kurisaki, T.; Yamaguchi, T.; Wakita, H.; Acta Crystallographica Section C 49 (1993) 229–231; doi:10.1107/S0108270192006401

data_2001940
_publ_section_title
;
 Determination of the absolute configuration of sodium
 (--)~589~-bis(<i>N</i>-methyliminodiacetato)cobaltate(III) trihydate
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              229
_journal_page_last               231
_journal_paper_doi               10.1107/S0108270192006401
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C10 H14 Co1 N2 O8,3(H2 O1),Na1'
_chemical_formula_sum            'C10 H20 Co N2 Na O11'
_chemical_formula_weight         426.2
_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                   11.071(3)
_cell_length_b                   16.606(6)
_cell_length_c                   8.761(2)
_cell_volume                     1610.7(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    1.112
_exptl_crystal_density_diffrn    1.76
_exptl_crystal_density_meas      1.74
_exptl_crystal_F_000             879.92
_cod_data_source_file            as1006.cif
_cod_data_source_block           as1006_structure_1_of_1
_cod_depositor_comments
;
 Correcting the _atom_site_type_symbol values for atoms 'N(1)' and 'O(3)'.

 Antanas Vaitkus,
 2017-08-10

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-09

 Adding _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-04-08
;
_cod_original_cell_volume        1610.7(9)
_cod_original_formula_sum        'C10 H20 Co1 N2 Na1 O11'
_cod_database_code               2001940
Structure of bis(tetramethylammonium) hexachlororhenate(IV)
Loris, R.; Maes, D.; Lisgarten, J. N.; Bettinelli, M.; Flint, C.; Acta Crystallographica Section C 49 (1993) 231–233; doi:10.1107/S0108270192005444

data_2001941
_publ_section_title
;
 Structure of bis(tetramethylammonium) hexachlororhenate(IV)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              231
_journal_page_last               233
_journal_paper_doi               10.1107/S0108270192005444
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         '2(C4 H12 N1),Cl6 Re1'
_chemical_formula_sum            'C8 H24 Cl6 N2 Re'
_chemical_formula_weight         547.2
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   12.760(2)
_cell_length_b                   12.760(2)
_cell_length_c                   12.760(2)
_cell_volume                     2077.6(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    7.5
_exptl_crystal_density_diffrn    1.7505(6)
_exptl_crystal_F_000             1052
_cod_data_source_file            li1000.cif
_cod_data_source_block           li1000a
_cod_original_cell_volume        2077.5(6)
_cod_original_formula_sum        'C8 H24 Cl6 N2 Re1'
_cod_database_code               2001941
Structure of hexa-μ-acetato-1κ^3^<i>O</i>:2κ^3^<i>O'</i>;2κ^3^<i>O</i>:3κ^3^<i>O'</i>-bis(1,10-phenanthroline)-1κ^2^<i>N</i>^1^,<i>N</i>^10^;2κ^2^<i>N</i>^1^,<i>N</i>^10^-trimanganese(II)
Tsuneyoshi, K.; Kobayashi, H.; Miyamae, H.; Acta Crystallographica Section C 49 (1993) 233–236; doi:10.1107/S0108270192006395

data_2001942
_publ_section_title
;Structure of
 hexa-\m-acetato-1\k^3^<i>O</i>:2\k^3^<i>O'</i>;2\k^3^<i>O</i>:3\k^3^<i>O'</i>-bis(1,10-phenanthroline)-1\k^2^<i>N</i>^1^,<i>N</i>^10^;2\k^2^<i>N</i>^1^,<i>N</i>^10^-trimanganese(II)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              233
_journal_page_last               236
_journal_paper_doi               10.1107/S0108270192006395
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C36 H34 Mn3 N4 O12'
_chemical_formula_weight         879.5
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-A 2ya'
_space_group_name_H-M_alt        'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.63(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   26.414(3)
_cell_length_b                   12.433(2)
_cell_length_c                   11.410(2)
_cell_volume                     3704.7(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.032
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_density_meas      1.576
_exptl_crystal_F_000             1796
_cod_data_source_file            as0573.cif
_cod_data_source_block           as0573_structure_1_of_1
_cod_depositor_comments
;
 Adding the anisotropic parameter values after consulting the original
 publication.

 Antanas Vaitkus,
 2018-01-28

 Correcting the space group by changing it from 'A 1 1 2/a' to 'A 1 2/a 1'
 after consulting the original publication.

 Antanas Vaitkus,
 2018-01-28

 Fixing a typo in _atom_site_label value -- changing "CH10" to "HC10".
 Adding _atom_site_type_symbol values.
 Adding _journal_paper_doi.

 Antanas Vaitkus,
 2013-10-14
;
_cod_database_code               2001942