LMucko/crystallography-open-database huggingface dataset:
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Marsh, Richard E.; Acta Crystallographica Section B 65 (2009) 782–783; doi:10.1107/S0108768109046448

data_2104532
_publ_section_title
;
 Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
;
_journal_coeditor_code           BK5088
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              782
_journal_page_last               783
_journal_paper_doi               10.1107/S0108768109046448
_journal_volume                  65
_journal_year                    2009
_chemical_compound_source        synthetic
_chemical_formula_moiety         'C24 H52 O2 Si2'
_chemical_formula_sum            'C24 H52 O2 Si2'
_chemical_formula_weight         428.85
_chemical_melting_point          287.5(5)
_chemical_name_systematic
;
(+-)-1,2-trans-Di(tri-isopropylsilyloxy)cyclohexane
;
_space_group_IT_number           15
_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                90.00
_cell_angle_beta                 97.966(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.8400(5)
_cell_length_b                   15.7120(13)
_cell_length_c                   23.329(2)
_cell_measurement_temperature    273
_cell_volume                     2846.0(4)
_diffrn_measurement_device       'DIP Image plate'
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.001
_exptl_crystal_density_method    'not measured'
_exptl_crystal_preparation
;
mixture of methanol and diethyl ether
;
_cod_data_source_file            bk5088.cif
_cod_data_source_block           TICZAH
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '287-288' was changed to '287.5(5)' -
the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_chemical_melting_point' value '287-288' was changed to '287.5(5)' -
the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2104532
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Marsh, Richard E.; Acta Crystallographica Section B 65 (2009) 782–783; doi:10.1107/S0108768109046448

data_2104533
_publ_section_title
;
 Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
;
_journal_coeditor_code           BK5088
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              782
_journal_page_last               783
_journal_paper_doi               10.1107/S0108768109046448
_journal_volume                  65
_journal_year                    2009
_chemical_formula_sum            'C7 H14 N2'
_chemical_formula_weight         126.2
_chemical_name_systematic        2-(Methylamino)-4-(methylimino)-pent-2-ene
_space_group_IT_number           15
_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                90.0
_cell_angle_beta                 107.05(3)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   12.129(2)
_cell_length_b                   12.034(2)
_cell_length_c                   5.692(1)
_cell_measurement_temperature    295
_cell_volume                     794.3(3)
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_crystal_density_diffrn    1.055
_exptl_crystal_F_000             280
_cod_data_source_file            bk5088.cif
_cod_data_source_block           TIZZIM
_cod_original_cell_volume        794.3(2)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2104533
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Marsh, Richard E.; Acta Crystallographica Section B 65 (2009) 782–783; doi:10.1107/S0108768109046448

data_2104534
_publ_section_title
;
 Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
;
_journal_coeditor_code           BK5088
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              782
_journal_page_last               783
_journal_paper_doi               10.1107/S0108768109046448
_journal_volume                  65
_journal_year                    2009
_chemical_formula_moiety         'C44 H34 Ir N6, 3(P F6), 2(C2 H3 N)'
_chemical_formula_sum            'C48 H40 F18 Ir N8 P3'
_chemical_formula_weight         1356.01
_chemical_name_systematic
;
bis(4'-(4-Methylphenyl)-2,2':6'2"-terpyridine-N,N',N")-iridium tris(hexa-
fluorophosphate) acetonitrile solvate.
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.5450(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.7995(5)
_cell_length_b                   16.4658(5)
_cell_length_c                   21.5521(7)
_cell_measurement_reflns_used    23513
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      30.5
_cell_measurement_theta_min      1.9
_cell_volume                     5059.8(3)
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.780
_exptl_crystal_description       block
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_cod_data_source_file            bk5088.cif
_cod_data_source_block           YIDGAU
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-03-24
;
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C48 H40 F18 Ir N8 P3 '
_cod_database_code               2104534
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Marsh, Richard E.; Acta Crystallographica Section B 65 (2009) 782–783; doi:10.1107/S0108768109046448

data_2104535
_publ_section_title
;
 Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
;
_journal_coeditor_code           BK5088
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              782
_journal_page_last               783
_journal_paper_doi               10.1107/S0108768109046448
_journal_volume                  65
_journal_year                    2009
_chemical_formula_sum            'C10 H18 Cd N4 O4 S2'
_chemical_formula_weight         434.6
_chemical_name_systematic
;
bis(acetato-O)-bis-1,3-imidazolidine-2-thione-S)-cadmium(ii)
;
_space_group_IT_number           15
_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                90.00
_cell_angle_beta                 90.42(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.440(3)
_cell_length_b                   9.2702(19)
_cell_length_c                   14.065(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1622.0(6)
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_density_diffrn    1.781
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             872
_cod_data_source_file            bk5088.cif
_cod_data_source_block           BOJWUT
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2104535
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Marsh, Richard E.; Acta Crystallographica Section B 65 (2009) 782–783; doi:10.1107/S0108768109046448

data_2104536
_publ_section_title
;
 Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
;
_journal_coeditor_code           BK5088
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              782
_journal_page_last               783
_journal_paper_doi               10.1107/S0108768109046448
_journal_volume                  65
_journal_year                    2009
_chemical_formula_moiety         'C54 H76 Cu N4, F6 P'
_chemical_formula_sum            'C54 H76 Cu F6 N4 P'
_chemical_formula_weight         989.70
_chemical_name_systematic
;
bis(1,3-bis(2,6-Isopropylphenyl)-4,5-dihydro-2-ylidene-copper(ii) 
hexafluorophosphate
;
_space_group_IT_number           15
_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                90.00
_cell_angle_beta                 99.4310(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.6928(8)
_cell_length_b                   17.7186(8)
_cell_length_c                   16.7094(7)
_cell_measurement_reflns_used    18648
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.512
_cell_measurement_theta_min      2.164
_cell_volume                     5167.5(4)
_diffrn_ambient_temperature      150(2)
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.272
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2104
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_cod_data_source_file            bk5088.cif
_cod_data_source_block           CIRZUZ
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2104536
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Marsh, Richard E.; Acta Crystallographica Section B 65 (2009) 782–783; doi:10.1107/S0108768109046448

data_2104537
_publ_section_title
;
 Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
;
_journal_coeditor_code           BK5088
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              782
_journal_page_last               783
_journal_paper_doi               10.1107/S0108768109046448
_journal_volume                  65
_journal_year                    2009
_chemical_formula_sum            'C23 H24 Cu N2 O2'
_chemical_formula_weight         423.98
_chemical_name_systematic
;
(N,N'-bis(1-Benzylisopropylidene)propane-1,3-diamine-copper(ii)
;
_space_group_IT_number           15
_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                90.00
_cell_angle_beta                 116.97(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.188(2)
_cell_length_b                   20.503(2)
_cell_length_c                   9.154(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2038.7(8)
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_exptl_crystal_density_diffrn    1.381
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             884
_cod_data_source_file            bk5088.cif
_cod_data_source_block           DELWEX01
_cod_original_cell_volume        2038.7(6)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2104537
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Marsh, Richard E.; Acta Crystallographica Section B 65 (2009) 782–783; doi:10.1107/S0108768109046448

data_2104538
_publ_section_title
;
 Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
;
_journal_coeditor_code           BK5088
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              782
_journal_page_last               783
_journal_paper_doi               10.1107/S0108768109046448
_journal_volume                  65
_journal_year                    2009
_chemical_formula_moiety         'C22 H22 N4 S'
_chemical_formula_sum            'C22 H22 N4 S'
_chemical_formula_weight         748.99
_chemical_name_systematic
;
1-Allyl-3-methyl-2-phenyl-5-(phenylthio)-1,2,3,4-tetrahydropyrimido(4,5-d)
pyrimidine
;
_space_group_IT_number           15
_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                90.00
_cell_angle_beta                 103.652(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.598(4)
_cell_length_b                   6.2826(8)
_cell_length_c                   23.002(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3875.6(9)
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.181
_exptl_crystal_density_diffrn    1.284
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1584
_cod_data_source_file            bk5088.cif
_cod_data_source_block           JIYGAA
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2104538
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Marsh, Richard E.; Acta Crystallographica Section B 65 (2009) 782–783; doi:10.1107/S0108768109046448

data_2104539
_publ_section_title
;
 Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
;
_journal_coeditor_code           BK5088
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              782
_journal_page_last               783
_journal_paper_doi               10.1107/S0108768109046448
_journal_volume                  65
_journal_year                    2009
_chemical_formula_moiety         'Na, C16 H24 Ga N4 O8, 5(H2 O)'
_chemical_formula_sum            'C16 H34 Ga N4 Na O13'
_chemical_formula_weight         583.2
_chemical_name_systematic
;Sodium
 (1,4,7,10-tetraacetato-1,4,7,10-tetra-azacyclododecane-N,N',N",N'",O,O')
gallium(iii)
 pentahydrate
;
_space_group_IT_number           15
_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                90.00
_cell_angle_beta                 94.10
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.171
_cell_length_b                   14.962
_cell_length_c                   10.068
_cell_measurement_reflns_used    24
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      14.8
_cell_measurement_theta_min      6.3
_cell_volume                     2279.472
_diffrn_ambient_temperature      183(2)
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.699
_exptl_crystal_description       rod
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.5
_cod_data_source_file            bk5088.cif
_cod_data_source_block           NIYXID
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-02

The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2279.5
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C16 H34 Ga Na N4 O13'
_cod_database_code               2104539
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Marsh, Richard E.; Acta Crystallographica Section B 65 (2009) 782–783; doi:10.1107/S0108768109046448

data_2104540
_publ_section_title
;
 Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
;
_journal_coeditor_code           BK5088
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              782
_journal_page_last               783
_journal_paper_doi               10.1107/S0108768109046448
_journal_volume                  65
_journal_year                    2009
_chemical_formula_moiety         'C44 H32 N8 Ni2 O12, 2(H2 O)'
_chemical_formula_sum            'C44 H36 N8 Ni2 O14'
_chemical_formula_weight         1018.19
_chemical_name_systematic
;
bis(mu(2)-phthalato-tetraaqua-bis[3,2-f2'3'-h]quinoxaline)di-nickel dihydrate
;
_space_group_IT_number           15
_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                90.00
_cell_angle_beta                 110.954(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   27.675(4)
_cell_length_b                   10.3601(15)
_cell_length_c                   15.082(2)
_cell_measurement_reflns_used    12215
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.06
_cell_measurement_theta_min      2.12
_cell_volume                     4038.3(10)
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.675
_exptl_crystal_description       block
_exptl_crystal_F_000             2096
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.19
_cod_data_source_file            bk5088.cif
_cod_data_source_block           QOBJAT
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C44 H36 N8 Ni2 O14 '
_cod_database_code               2104540
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Marsh, Richard E.; Acta Crystallographica Section B 65 (2009) 782–783; doi:10.1107/S0108768109046448

data_2104541
_publ_section_title
;
 Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
;
_journal_coeditor_code           BK5088
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              782
_journal_page_last               783
_journal_paper_doi               10.1107/S0108768109046448
_journal_volume                  65
_journal_year                    2009
_chemical_formula_sum            'C31 H57 Fe N2 O2 Sc Si2'
_chemical_formula_weight         646.78
_chemical_name_systematic
;
(1,1'-bis(t-butyl(dimethyl)silylamido)ferrocene)-methyl-bis(tetrahydrofuran)-
scandium
;
_space_group_IT_number           15
_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                90.00
_cell_angle_beta                 104.4690(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.0645(15)
_cell_length_b                   10.2243(10)
_cell_length_c                   21.086(2)
_cell_measurement_temperature    100(2)
_cell_volume                     3353.5(6)
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_density_diffrn    1.281
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1392
_cod_data_source_file            bk5088.cif
_cod_data_source_block           RIWNER
_cod_original_cell_volume        3353.4(6)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2104541
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Marsh, Richard E.; Acta Crystallographica Section B 65 (2009) 782–783; doi:10.1107/S0108768109046448

data_2104542
_publ_section_title
;
 Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
;
_journal_coeditor_code           BK5088
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              782
_journal_page_last               783
_journal_paper_doi               10.1107/S0108768109046448
_journal_volume                  65
_journal_year                    2009
_chemical_formula_moiety         'C16 H22 O4'
_chemical_formula_sum            'C16 H22 O4'
_chemical_formula_weight         278.34
_chemical_name_systematic
;
1,4-bis(1'-carboxy-2'-methylprop-2'-yl)benzene
;
_space_group_IT_number           15
_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                90.00
_cell_angle_beta                 104.7180(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   21.8163(2)
_cell_length_b                   8.96530(10)
_cell_length_c                   23.2716(2)
_cell_measurement_reflns_used    10094
_cell_measurement_temperature    102(2)
_cell_measurement_theta_max      66.0457
_cell_measurement_theta_min      3.9242
_cell_volume                     4402.33(8)
_diffrn_ambient_temperature      102(2)
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.260
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1800
_exptl_crystal_size_max          0.723
_exptl_crystal_size_mid          0.4712
_exptl_crystal_size_min          0.1799
_cod_data_source_file            bk5088.cif
_cod_data_source_block           VIZHIW01
_cod_original_cell_volume        4402.33(7)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2104542