LMucko/crystallography-open-database huggingface dataset:
Complexes between uranyl nitrate and benzo-15-crown-5: structures of the (2/1) and (1/1) complexes of benzo-15-crown-5–diaquadinitratodioxouranium(VI)
Deshayes, L.; Keller, N.; Lance, M.; Nierlich, M.; Vigner, D.; Acta Crystallographica Section C 49 (1993) 16–19; doi:10.1107/S0108270192004980

data_2002030
_publ_section_title
;
 Complexes between uranyl nitrate and benzo-15-crown-5: structures of
 the (2/1) and (1/1) complexes of
 benzo-15-crown-5--diaquadinitratodioxouranium(VI)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              16
_journal_page_last               19
_journal_paper_doi               10.1107/S0108270192004980
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C28 H44 N2 O20 U'
_chemical_formula_weight         966.69
_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                 97.21(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.891(3)
_cell_length_b                   8.312(2)
_cell_length_c                   20.507(6)
_cell_volume                     1841.7(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    4.256
_exptl_crystal_density_diffrn    1.74
_exptl_crystal_F_000             956
_cod_data_source_file            du0322.cif
_cod_data_source_block           du0322_structure_1_of_2
_cod_original_cell_volume        1842.0(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C28 H44 N2 O20 U1'
_cod_database_code               2002030
Complexes between uranyl nitrate and benzo-15-crown-5: structures of the (2/1) and (1/1) complexes of benzo-15-crown-5–diaquadinitratodioxouranium(VI)
Deshayes, L.; Keller, N.; Lance, M.; Nierlich, M.; Vigner, D.; Acta Crystallographica Section C 49 (1993) 16–19; doi:10.1107/S0108270192004980

data_2002031
_publ_section_title
;
 Complexes between uranyl nitrate and benzo-15-crown-5: structures of
 the (2/1) and (1/1) complexes of
 benzo-15-crown-5--diaquadinitratodioxouranium(VI)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              16
_journal_page_last               19
_journal_paper_doi               10.1107/S0108270192004980
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C14 H24 N2 O15'
_chemical_formula_weight         698.38
_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_H-M   'P -1'
_cell_angle_alpha                105.18(2)
_cell_angle_beta                 82.42(2)
_cell_angle_gamma                110.08(2)
_cell_formula_units_Z            2
_cell_length_a                   8.477(2)
_cell_length_b                   8.809(2)
_cell_length_c                   16.700(3)
_cell_volume                     1129.2(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    6.886
_exptl_crystal_density_diffrn    2.05
_exptl_crystal_F_000             668
_cod_data_source_file            du0322.cif
_cod_data_source_block           du0322_structure_2_of_2
_cod_depositor_comments
;
 The y coordinate of atom 'C(2)' was changed from '.06080(10)' to
 '.6080(10)' after consulting the original publication.

 Antanas Vaitkus,
 2016-12-19
;
_cod_original_cell_volume        1129.0(10)
_cod_database_code               2002031
Structure of μ-[cystamine-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraacetato(4–)]-bis(5-methylimidazole)dicopper(II) dihydrate
Gutiérrez, J. N.; Garcia, E. A.; Viossat, B.; Dung, Nguyen-Huy; Busnot, A.; Hemidy, J. F.; Acta Crystallographica Section C 49 (1993) 19–22; doi:10.1107/S0108270192004682

data_2002032
_publ_section_title
;Structure of
 \m-[cystamine-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraacetato(4--)]-bis(5-methylimidazole)dicopper(II)
 dihydrate
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              19
_journal_page_last               22
_journal_paper_doi               10.1107/S0108270192004682
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C20 H28 Cu2 N6 O8 S2,2(H2 O1)'
_chemical_formula_sum            'C20 H32 Cu2 N6 O10 S2'
_chemical_formula_weight         707.7
_symmetry_cell_setting           monoclinic
_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                 110.760(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.503(5)
_cell_length_b                   7.491(2)
_cell_length_c                   17.367(2)
_cell_volume                     2737.5(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.1707
_exptl_absorpt_coefficient_mu    1.767
_exptl_crystal_density_diffrn    1.70
_exptl_crystal_F_000             1456
_cod_data_source_file            du0311.cif
_cod_data_source_block           du0311_structure_1_of_1
_cod_original_cell_volume        2737(2)
_cod_database_code               2002032
Geometry of the iminium moiety. III. Structures of a chiral form of bis[4,5-dihydro-3,5,5-trimethyl-1-(3'-methylcyclopentylidene)pyrazolium] hexachlorostannate and the racemate
Caira, M. R.; Nassimbeni, L. R.; Stephen, A. M.; Van Schalkwyk, T. G. D.; Acta Crystallographica Section C 49 (1993) 22–26; doi:10.1107/S0108270192005158

data_2002033
_publ_section_title
;
 Geometry of the iminium moiety. III. Structures of a chiral form of
 bis[4,5-dihydro-3,5,5-trimethyl-1-(3'-methylcyclopentylidene)pyrazolium]
 hexachlorostannate and the racemate
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              22
_journal_page_last               26
_journal_paper_doi               10.1107/S0108270192005158
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C24 H42 N4,Cl6 Sn1'
_chemical_formula_sum            'C24 H42 Cl6 N4 Sn'
_chemical_formula_weight         718.0
_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                 102.05(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.002(2)
_cell_length_b                   10.6390(10)
_cell_length_c                   15.616(4)
_cell_volume                     1625.1(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.31
_exptl_crystal_density_diffrn    1.467
_exptl_crystal_density_meas      1.460(10)
_exptl_crystal_F_000             732
_cod_data_source_file            ge0308.cif
_cod_data_source_block           ge0308_structure_1_of_2
_cod_original_cell_volume        1625.1(2)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C24 H42 Cl6 N4 Sn1'
_cod_database_code               2002033
Geometry of the iminium moiety. III. Structures of a chiral form of bis[4,5-dihydro-3,5,5-trimethyl-1-(3'-methylcyclopentylidene)pyrazolium] hexachlorostannate and the racemate
Caira, M. R.; Nassimbeni, L. R.; Stephen, A. M.; Van Schalkwyk, T. G. D.; Acta Crystallographica Section C 49 (1993) 22–26; doi:10.1107/S0108270192005158

data_2002034
_publ_section_title
;
 Geometry of the iminium moiety. III. Structures of a chiral form of
 bis[4,5-dihydro-3,5,5-trimethyl-1-(3'-methylcyclopentylidene)pyrazolium]
 hexachlorostannate and the racemate
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              22
_journal_page_last               26
_journal_paper_doi               10.1107/S0108270192005158
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C24 H42 N4,Cl6 Sn1'
_chemical_formula_sum            'C24 H42 Cl6 N4 Sn'
_chemical_formula_weight         718.0
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.03(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.998(2)
_cell_length_b                   10.6490(10)
_cell_length_c                   15.637(4)
_cell_volume                     1628.3(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.30
_exptl_crystal_density_diffrn    1.465
_exptl_crystal_density_meas      1.480(10)
_exptl_crystal_F_000             732
_cod_data_source_file            ge0308.cif
_cod_data_source_block           ge0308_structure_2_of_2
_cod_original_cell_volume        1628.3(3)
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C24 H42 Cl6 N4 Sn1'
_cod_database_code               2002034
Geometry of the iminium moiety. IV. Structure of 4,5-dihydro-3,5,5-trimethylpyrazolium aquapentachlorostannate monohydrate
Caira, M. R.; Nassimbeni, L. R.; Stephen, A. M.; Van Schalkwyk, T. G. D.; Acta Crystallographica Section C 49 (1993) 26–30; doi:10.1107/S0108270192005146

data_2002035
_publ_section_title
;
 Geometry of the iminium moiety. IV. Structure of
 4,5-dihydro-3,5,5-trimethylpyrazolium aquapentachlorostannate
 monohydrate
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              26
_journal_page_last               30
_journal_paper_doi               10.1107/S0108270192005146
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C6 H17 Cl5 N2 O2 Sn'
_chemical_formula_weight         469.2
_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                 96.180(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.7880(10)
_cell_length_b                   18.5600(10)
_cell_length_c                   8.1580(10)
_cell_volume                     1623.9(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    2.41
_exptl_crystal_density_diffrn    1.919
_exptl_crystal_density_meas      1.920(10)
_exptl_crystal_F_000             920
_cod_data_source_file            ge0302.cif
_cod_data_source_block           ge0302_structure_1_of_1
_cod_original_cell_volume        1624.0(3)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C6 H17 Cl5 N2 O2 Sn1'
_cod_database_code               2002035
Structure of dichloro(η^5^-cyclopentadienyl)(2-propenyl-η^5^-cyclopentadienyl)titanium(IV)
Gelmini, L.; Puddephatt, R. J.; Vittal, J. J.; Acta Crystallographica Section C 49 (1993) 30–33; doi:10.1107/S0108270192004281

data_2002036
_publ_section_title
;Structure of
 dichloro(\h^5^-cyclopentadienyl)(2-propenyl-\h^5^-cyclopentadienyl)titanium(IV)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              30
_journal_page_last               33
_journal_paper_doi               10.1107/S0108270192004281
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C13 H14 Cl2 Ti'
_chemical_formula_weight         289.06
_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                 97.110(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.2760(10)
_cell_length_b                   12.032(2)
_cell_length_c                   12.987(2)
_cell_volume                     1283.3(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.05
_exptl_crystal_density_diffrn    1.496
_exptl_crystal_density_meas      1.45(5)
_exptl_crystal_F_000             592
_cod_data_source_file            cd0086.cif
_cod_data_source_block           cd0086_structure_1_of_1
_cod_original_cell_volume        1283(7)
_cod_original_formula_sum        'C13 H14 Cl2 Ti1'
_cod_database_code               2002036
Structure of <i>trans</i>-dibromo(ethoxo)oxobis(triphenylphosphine)rhenium(V)
Lebuis, A.-M.; Roux, C.; Beauchamp, A. L.; Acta Crystallographica Section C 49 (1993) 33–36; doi:10.1107/S0108270192004748

data_2002037
_publ_section_title
;
 Structure of
 <i>trans</i>-dibromo(ethoxo)oxobis(triphenylphosphine)rhenium(V)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              33
_journal_page_last               36
_journal_paper_doi               10.1107/S0108270192004748
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C38 H35 Br2 O2 P2 Re'
_chemical_formula_weight         931.66
_symmetry_cell_setting           monoclinic
_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                 93.33(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.284(7)
_cell_length_b                   14.509(4)
_cell_length_c                   19.308(7)
_cell_volume                     3435(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    6.03
_exptl_crystal_density_diffrn    1.801
_exptl_crystal_F_000             1816
_cod_data_source_file            cd0087.cif
_cod_data_source_block           cd0087_structure_1_Of_1
_cod_original_formula_sum        'C38 H35 Br2 O2 P2 Re1'
_cod_database_code               2002037
A new polymorph of maleic hydrazide
Katrusiak, A.; Acta Crystallographica Section C 49 (1993) 36–39; doi:10.1107/S0108270192004918

data_2002038
_publ_section_title
;
 A new polymorph of maleic hydrazide
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              36
_journal_page_last               39
_journal_paper_doi               10.1107/S0108270192004918
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C4 H4 N2 O2'
_chemical_formula_weight         112.09
_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                 100.07(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.891(2)
_cell_length_b                   9.674(2)
_cell_length_c                   6.9460(10)
_cell_volume                     455.91(18)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    1.031
_exptl_crystal_density_diffrn    1.630(10)
_exptl_crystal_F_000             232
_cod_data_source_file            hu0409.cif
_cod_data_source_block           hu0409_structure_1_of_1
_cod_original_cell_volume        455.9(2)
_cod_database_code               2002038
Structure of 1,2,4-trideoxy-1,4-imino-3,5;6,7-di-<i>O</i>-isopropylidene-<small>L</small>-<i>glycero</i>-<small>D</small>-<i>gluco</i>-octitol: a key intermediate in the enantioselective synthesis of 8-epicastanospermine
Gallagher, T.; Giles, M. E.; Mahon, M. F.; Molloy, K. C.; Hadley, M. S.; Acta Crystallographica Section C 49 (1993) 40–42; doi:10.1107/S0108270192004517

data_2002039
_publ_section_title
;Structure of
 1,2,4-trideoxy-1,4-imino-3,5;6,7-di-<i>O</i>-isopropylidene-<small>L</small>-<i>glycero</i>-<small>D</small>-<i>gluco</i>-octitol:
 a key intermediate in the enantioselective synthesis of 8-epicastanospermine
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              40
_journal_page_last               42
_journal_paper_doi               10.1107/S0108270192004517
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C14 H25 N O5'
_chemical_formula_weight         287.4
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 32 2"'
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   11.831(2)
_cell_length_b                   11.831(2)
_cell_length_c                   19.948(7)
_cell_volume                     2418.1(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.054
_exptl_crystal_density_diffrn    1.18
_exptl_crystal_F_000             936
_cod_data_source_file            al1005.cif
_cod_data_source_block           al1005_structure_1_of_1
_cod_original_cell_volume        2418.1
_cod_original_formula_sum        'C14 H25 N1 O5'
_cod_database_code               2002039
Structure of oxmetidine dihydrochloride (SKF 92994)
Prout, K.; Burns, K.; Watkin, D. J.; Durant, G. J.; Brown, T. H.; Acta Crystallographica Section C 49 (1993) 44–46; doi:10.1107/S0108270192003548

data_2002040
_publ_section_title
;
 Structure of oxmetidine dihydrochloride (SKF 92994)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              44
_journal_page_last               46
_journal_paper_doi               10.1107/S0108270192003548
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C19 H23 Cl2 N5 O3 S'
_chemical_formula_weight         472.4
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                108.42(2)
_cell_angle_beta                 93.28(2)
_cell_angle_gamma                100.3(3)
_cell_formula_units_Z            2
_cell_length_a                   8.291(2)
_cell_length_b                   10.759(3)
_cell_length_c                   13.169(3)
_cell_volume                     1088.4(14)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.42
_exptl_crystal_density_diffrn    1.44
_exptl_crystal_F_000             492
_cod_data_source_file            ha0106.cif
_cod_data_source_block           ha0106_structure_1_of_1
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        1088.6
_cod_original_formula_sum        'C19 H23 Cl2 N5 O3 S1'
_cod_database_code               2002040
Structure of 2,3-naphthalenediamine dihydrochloride dihydrate
Zhan, Y.; Barton, R. J.; Robertson, B. E.; Acta Crystallographica Section C 49 (1993) 46–48; doi:10.1107/S0108270192004736

data_2002041
_publ_section_title
;
 Structure of 2,3-naphthalenediamine dihydrochloride dihydrate
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              46
_journal_page_last               48
_journal_paper_doi               10.1107/S0108270192004736
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C10 H12 N2,Cl2,2(H2 O1)'
_chemical_formula_sum            'C10 H16 Cl2 N2 O2'
_chemical_formula_weight         267.15
_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                 92.57(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.057(2)
_cell_length_b                   13.017(3)
_cell_length_c                   13.982(3)
_cell_volume                     1283.1(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.474
_exptl_crystal_density_diffrn    1.362
_exptl_crystal_F_000             560
_cod_data_source_file            cd0059.cif
_cod_data_source_block           cd0059_structure_1_of_1
_cod_database_code               2002041
Structure of 1-(4-nitrobenzoyloxy)-4,5-dimethyl-1,2,3-triazole
Cheer, C. J.; Kavounis, C. A.; Bozopoulos, A. P.; Rentzeperis, P. J.; Theocharis, A. B.; Acta Crystallographica Section C 49 (1993) 49–52; doi:10.1107/S0108270192005195

data_2002042
_publ_section_title
;
 Structure of 1-(4-nitrobenzoyloxy)-4,5-dimethyl-1,2,3-triazole
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              49
_journal_page_last               52
_journal_paper_doi               10.1107/S0108270192005195
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C11 H10 N4 O4'
_chemical_formula_weight         262.22
_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            4
_cell_length_a                   5.9450(10)
_cell_length_b                   10.941(2)
_cell_length_c                   18.277(4)
_cell_volume                     1188.8(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.107
_exptl_crystal_density_diffrn    1.47
_exptl_crystal_density_meas      1.45
_exptl_crystal_F_000             544
_cod_data_source_file            cr0389.cif
_cod_data_source_block           cr0389_structure_1_of_1
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18

 Marking atom disorder after consulting the original publication. The 'H(10A)',
 'H(10B)', 'H(10C)' and 'H(10D)', 'H(10E)', 'H(10F)' atoms were marked as
 belonging to the disorder assembly A groups '1' and '2' with the occupancies
 of 0.45 and 0.55 respectively. The 'H(11A)', 'H(11B)', 'H(11C)' and 'H(11D)',
 'H(11E)', 'H(11F)' atoms were marked as belonging to the disorder assembly
 B groups '1' and'2' with the occupancies of 0.43 and 0.57 respectively.

 Antanas Vaitkus,
 2018-06-18
;
_cod_original_cell_volume        1188.8(8)
_cod_database_code               2002042