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_2104604
_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         'C10 H8 Cu F6 O4'
_chemical_formula_sum            'C10 H8 Cu F6 O4'
_chemical_formula_weight         369.70
_chemical_name_systematic
'Trans-bis-(1,1,1-trifluoropentan-2,4-dionato) copper(II)'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.436(2)
_cell_angle_beta                 102.3620(10)
_cell_angle_gamma                106.1460(10)
_cell_formula_units_Z            1
_cell_length_a                   4.7559(2)
_cell_length_b                   8.1563(4)
_cell_length_c                   8.6068(4)
_cell_measurement_reflns_used    1723
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.32
_cell_measurement_theta_min      2.44
_cell_volume                     311.40(2)
_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device_type  'Bruker Nonius X8Apex 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            blue
_exptl_crystal_density_diffrn    1.971
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             183
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.07
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.47(2)
_cod_data_source_file            bk5088.cif
_cod_data_source_block           QQQBWP02
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2104604
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_2104605
_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            'C27 H27 Eu O12'
_chemical_formula_weight         677.43
_chemical_name_systematic
;
catena-(tetrakis(mu(2)-3-(3-hydroxylphenyl)acrylato)-bis-(3-(3-hydroxyl-
phenyl)acrylato)diaqua-di-europium(iii) dihydrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.41(3)
_cell_angle_beta                 97.25(3)
_cell_angle_gamma                103.77(3)
_cell_formula_units_Z            2
_cell_length_a                   7.8480(16)
_cell_length_b                   13.019(3)
_cell_length_c                   13.636(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1324.0(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    1.699
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             676
_cod_data_source_file            bk5088.cif
_cod_data_source_block           ROJTIU
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 'Triclinic' changed to 'triclinic'
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 

2020-02-09
Formula changed to be consistent with given Z value 
                 miguel
;
_cod_original_formula_weight         1354.86
_cod_original_formula_units_Z            2
_cod_original_cell_volume        1324.0(5)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C54 H50 Eu2 O22, 2(H2 O)'
_cod_database_code               2104605
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_2104606
_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            'C24 H36 Ag2 Cl2 N12 O8'
_chemical_formula_weight         907.29
_chemical_name_systematic
;
bis(mu(2)-2-Amino-4,6-dimethylpyridine-N,N')-bis(2-amino-4,6-dimethyl-
pyrimidine-N)-di-silver perchlorate.
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                96.464(3)
_cell_angle_beta                 93.870(3)
_cell_angle_gamma                100.107(3)
_cell_formula_units_Z            1
_cell_length_a                   7.3094(3)
_cell_length_b                   8.5764(4)
_cell_length_c                   13.4415(5)
_cell_measurement_temperature    173(2)
_cell_volume                     820.99(6)
_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    1.835
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             456
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_cod_data_source_file            bk5088.cif
_cod_data_source_block           YOKPUK
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2104606
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_2104607
_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            'C12 H13 N O2'
_chemical_formula_weight         203.23
_chemical_name_systematic
;
(2R,5R,6S)-6-Methyl-2-phenyl-4-oxa-1-azabicyclo[3,2,0]heptane-7-one
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.4(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   7.89(9)
_cell_length_b                   5.76(3)
_cell_length_c                   11.18(7)
_cell_volume                     508(7)
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.329
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             216
_cod_data_source_file            bk5088.cif
_cod_data_source_block           YOMKER
_cod_original_sg_symbol_H-M      'P 2(1)'
_cod_database_code               2104607
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_2104608
_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         'C128 H146 N14 Zn2, 4(C6 H6), 8(C2 H3 N)'
_chemical_formula_sum            'C168 H194 N22 Zn2'
_chemical_formula_weight         2652.24
_chemical_name_systematic
;
bis(mu(2)-5,10,15-Tris(3,5-di-t-butyl)phenyl)-20(1H-1,2,3-triazol-4-yl)-
di-zinc(ii) acetonitrile benzene solvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                78.601(2)
_cell_angle_beta                 81.694(2)
_cell_angle_gamma                89.735(2)
_cell_formula_units_Z            1
_cell_length_a                   13.1202(13)
_cell_length_b                   16.6253(16)
_cell_length_c                   17.5706(17)
_cell_measurement_reflns_used    9105
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      28.18
_cell_measurement_theta_min      2.30
_cell_volume                     3716.5(6)
_diffrn_ambient_temperature      90(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            violet
_exptl_crystal_density_diffrn    1.184
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1416
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_cod_data_source_file            bk5088.cif
_cod_data_source_block           XIXCOX
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-03-24

The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 'Triclinic' changed to 'triclinic'
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_Hall     P-1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2104608
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_2104609
_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         'C62 H80 N8 Na Ni4 O16, Cl O4'
_chemical_formula_sum            'C62 H80 Cl N8 Na Ni4 O20'
_chemical_formula_weight         1550.62
_chemical_name_systematic
;
Tetrakis(mu(3)-Acetato-O,O,O')-bis(mu(2)-acetato-O,O)-bis(mu(2)-(eta-
propyliminomethyl)-4-methyl-6-((bis(pyridin-2-ylmethyl)amino)phenolato)-
bis(methanol)-tetra-nickel(ii)-sodium perchlorate.
;
_space_group_IT_number           20
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.737
_cell_length_b                   22.671
_cell_length_c                   20.833(4)
_cell_measurement_temperature    150(2)
_cell_volume                     6960.4(13)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_colour            GREEN
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_description       PRISM
_exptl_crystal_F_000             3232
_cod_data_source_file            bk5088.cif
_cod_data_source_block           BENWOH
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'ORTHORHOMBIC' changed to 'orthorhombic'
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 'ORTHORHOMBIC' changed to
'orthorhombic' 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        6960.4(22)
_cod_original_sg_symbol_H-M      C222(1)
_cod_database_code               2104609
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_2104610
_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         'C62 H80 N8 Na Ni4 O16, P F6'
_chemical_formula_sum            'C62 H80 F6 N8 Na Ni4 O16 P'
_chemical_formula_weight         1596.14
_chemical_name_systematic
;
Tetrakis(mu(3)-Acetato-O,O,O')-bis(mu(2)-acetato-O,O)-bis(mu(2)-(eta-
propyliminomethyl)-4-methyl-6-((bis(pyridin-2-ylmethyl)amino)phenolato)-
bis(methanol)-tetra-nickel(ii)-sodium hexafluorophosphate.
;
_space_group_IT_number           20
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.8237(16)
_cell_length_b                   22.6797(16)
_cell_length_c                   21.3521(18)
_cell_measurement_temperature    150(2)
_cell_volume                     7178.5(11)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_colour            GREEN
_exptl_crystal_density_diffrn    1.477
_exptl_crystal_description       PRISM
_exptl_crystal_F_000             3312
_cod_data_source_file            bk5088.cif
_cod_data_source_block           BENWUN
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 'Orthorhombic' changed to
'orthorhombic' 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      C222(1)
_cod_database_code               2104610
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_2104611
_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         'C28 H40 Cl2 N6 Ru, F6 P, 2(H2 O)'
_chemical_formula_sum            'C28 H44 Cl2 F6 N6 O2 P Ru'
_chemical_formula_weight         813.6
_chemical_name_systematic
;
Dichloro-(bis(6-(neopentylamino)pyrid-2-ylmethyl)(pyrid-2-ylmethyl)amine-
N,N',N'',N''')-ruthenium(iii) hexafluorophosphate monohydrate
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.78(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.697(3)
_cell_length_b                   16.353(3)
_cell_length_c                   12.652(4)
_cell_measurement_temperature    288.2
_cell_volume                     1754.8(9)
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_exptl_crystal_density_diffrn    1.540
_exptl_crystal_F_000             834
_cod_data_source_file            bk5088.cif
_cod_data_source_block           DALNAG
_cod_original_sg_symbol_H-M      P2(1)/m
_cod_database_code               2104611
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-01-27
;
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_2104612
_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         'C26 H24 Cu N8 O4 S, 8.5(H2 O)'
_chemical_formula_sum            'C26 H41 Cu N8 O12.5 S'
_chemical_formula_weight         761.27
_chemical_name_systematic
;
Catena-(tetrakis(mu(2)-(1-(1-imidazolyl)-4-(imidazol-1-ylmethyl)benzene))-
bis(sulfato)-di-copper(ii) heptadecahydrate)
;
_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                90.00
_cell_angle_beta                 110.29(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.319(17)
_cell_length_b                   14.366(15)
_cell_length_c                   26.75(3)
_cell_measurement_temperature    200
_cell_volume                     6603(12)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_description       block
_exptl_crystal_F_000             3184
_cod_data_source_file            bk5088.cif
_cod_data_source_block           FENXOM
_cod_original_cell_volume        6603(11)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2104612
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_2104613
_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         'C26 H24 Co N8 O4 S', '8.25(H2 O)'
_chemical_formula_sum            'C26 H40.5 Co N8 O12.25 S'
_chemical_formula_weight         752.15
_chemical_name_systematic
;
Catena-tetrakis(mu(2)-(1-(1-imidazole)-4-(imidazol-1-ylmethyl)benzene))-
diaqua-bis(sulfato)-di-cobalt(ii) hydrate
;
_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                90.0
_cell_angle_beta                 110.856
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   18.741
_cell_length_b                   14.455
_cell_length_c                   26.423
_cell_measurement_reflns_used    19425
_cell_measurement_temperature    200
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.4
_cell_volume                     6689.014
_diffrn_ambient_temperature      200
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.494
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3148
_cod_data_source_file            bk5088.cif
_cod_data_source_block           FENXUS
_cod_original_cell_volume        6688.8(9)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2104613