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_2104480
_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            'C44 H70 O2 Si4 Zr'
_chemical_formula_weight         834.58
_chemical_name_systematic
;
Dicarbonyl-bis(eta(5)-1,3-bis(t-butyl(dimethyl)silyl)indenyl)-zirconium
;
_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                 96.702(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.7006(9)
_cell_length_b                   9.3584(4)
_cell_length_c                   23.7365(11)
_cell_measurement_temperature    173(2)
_cell_volume                     4566.9(3)
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.214
_exptl_crystal_description       block
_exptl_crystal_F_000             1784
_cod_data_source_file            bk5088.cif
_cod_data_source_block           BIJMIR
_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               2104480
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_2104481
_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            'C4 H10 N2 O10 Zn'
_chemical_formula_weight         311.51
_chemical_name_systematic
;
catena-((mu(2)-Erythritol)-bis(nitrato-O)-zinc(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                 91.07(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.678(3)
_cell_length_b                   7.1156(14)
_cell_length_c                   9.883(2)
_cell_volume                     961.7(3)
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.610
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    2.151
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             632
_cod_data_source_file            bk5088.cif
_cod_data_source_block           DADMEB
_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               2104481
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_2104482
_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         'C33 H52 Cl N7 O Ru, C F3 S O3'
_chemical_formula_sum            'C34 H52 Cl F3 N7 O4 Ru S'
_chemical_formula_weight         848.41
_chemical_name_systematic
;Chloro-hydroxy-(tris(6-(neopentylamino)pyrid-2-ylmethyl)amine-N,N',N'',
 N''')-
ruthenium(iii) trifluoromethanesulfate.
;
_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                 95.99(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   22.457(4)
_cell_length_b                   23.066(6)
_cell_length_c                   16.692(2)
_cell_measurement_temperature    288.2
_cell_volume                     8599(3)
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_F_000             3528
_cod_data_source_file            bk5088.cif
_cod_data_source_block           DALNOU
_cod_original_cell_volume        8599(2)
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C34 H52 Cl F3 N7 O4 S Ru'
_cod_database_code               2104482
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_2104483
_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         'C42 H40 N2 O2'
_chemical_formula_sum            'C42 H40 N2 O2'
_chemical_formula_weight         604.76
_chemical_name_systematic
;
2,2'-bis(5-t-butyl-2-hydroxybenzylidinamino)-1,1'-binaphthyl
;
_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                 120.187(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.365(2)
_cell_length_b                   14.6279(16)
_cell_length_c                   12.1375(13)
_cell_measurement_temperature    293(2)
_cell_volume                     3432.3(6)
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.170
_exptl_crystal_F_000             1288
_cod_data_source_file            bk5088.cif
_cod_data_source_block           EBUXUV
_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               2104483
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_2104484
_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            'C34 H55 F12 N6 P2 Rh'
_chemical_formula_weight         940.69
_chemical_name_systematic
;
(1,1-bis((3-n-Butylimidazol-2-ylidene-1-yl)methyl)-1-((3-n-butylimidazolium
-1-yl)methyl)ethane-C,C')-(eta(4)-cyclo-octa-1,5-dione)rhodium 
bis(hexafluoro-phosphate)
;
_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                 120.20(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   33.544(7)
_cell_length_b                   10.027(2)
_cell_length_c                   28.873(6)
_cell_measurement_temperature    293(2)
_cell_volume                     8393(4)
_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    1.489
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3872
_cod_data_source_file            bk5088.cif
_cod_data_source_block           EVUQUH
_cod_original_cell_volume        8393(3)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2104484
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_2104485
_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         'C68 H54 Co4 O8 P4'
_chemical_formula_sum            'C68 H54 Co4 O8 P4'
_chemical_formula_weight         1358.71
_chemical_name_systematic
;
(Mu_4-eta^4,eta^4-5-Methylene-7,7-dimethylcyclohepta-1.3-diyne)bis(mu_2-bis-

(diphenylphosphine)-methane)-octdacarbonyl-tetra-cobalt
;
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   33.916
_cell_length_b                   35.276
_cell_length_c                   9.976
_cell_measurement_temperature    180(2)
_cell_volume                     11935.494
_diffrn_ambient_temperature      180(2)
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.257
_exptl_crystal_density_diffrn    1.512
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5552
_cod_data_source_file            bk5088.cif
_cod_data_source_block           EXATUS
_cod_original_cell_volume        11936
_cod_original_sg_symbol_H-M      Fdd2
_cod_database_code               2104485
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_2104486
_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            'C14 H14 N2 O4 S2 Zn'
_chemical_formula_weight         403.76
_chemical_name_systematic
;
catena((mu(2)-1,2-bis(4-pyridyl)disulfide)-bis(acetato-O)-zinc(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                 109.5560(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.4615(4)
_cell_length_b                   10.0537(2)
_cell_length_c                   10.9358(3)
_cell_measurement_temperature    223(2)
_cell_volume                     1705.46(7)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'long rod, cut'
_exptl_crystal_F_000             824
_cod_data_source_file            bk5088.cif
_cod_data_source_block           FAYQUS
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2104486
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_2104487
_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         'C24 H22 Cl2 N2 Sn'
_chemical_formula_sum            'C24 H22 Cl2 N2 Sn'
_chemical_formula_weight         528.03
_chemical_name_systematic
;
catena((mu(2)-4,4'-bipyridyl)-dibenzyl-dichloro-tin(iv))
;
_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                 112.972(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.869(4)
_cell_length_b                   11.845(3)
_cell_length_c                   13.295(3)
_cell_measurement_temperature    298(2)
_cell_volume                     2300.9(10)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_F_000             1056
_cod_data_source_file            bk5088.cif
_cod_data_source_block           FEJGAD
_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_cell_volume        2300.9(9)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2104487
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_2104488
_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            'C26 H26 Ga N O2 P2'
_chemical_formula_weight         516.14
_chemical_name_systematic
;
Dimethyl-(P,P,P',P')tetraphenylimidodiphosphinato)gallium(ii)
;
_space_group_IT_number           40
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'A 2 -2a'
_symmetry_space_group_name_H-M   'A m a 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.000
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.743(2)
_cell_length_b                   14.8424(19)
_cell_length_c                   9.6445(12)
_cell_measurement_temperature    293(2)
_cell_volume                     2539.9(5)
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_description       block
_exptl_crystal_F_000             1064
_cod_data_source_file            bk5088.cif
_cod_data_source_block           IBUSUU
_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        2539.8(6)
_cod_original_sg_symbol_H-M      Ama2
_cod_database_code               2104488
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_2104489
_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 H18 F20 N6 Ru, 3(C H2 Cl2)'
_chemical_formula_sum            'C57 H24 Cl6 F20 N6 Ru'
_chemical_formula_weight         1486.6
_chemical_name_systematic
;
Dipyridine-(5,10,15,20-tetrakis(pentafluorophenyl)prophyrinato)-
ruthenium(ii) tri(dichloromethane) solvate. 
;
_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                 113.669(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.593(3)
_cell_length_b                   8.8500(10)
_cell_length_c                   27.101(3)
_cell_measurement_temperature    294(2)
_cell_volume                     5841.6(11)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_colour            RED
_exptl_crystal_density_diffrn    1.690
_exptl_crystal_description       PLATE
_exptl_crystal_F_000             2936
_cod_data_source_file            bk5088.cif
_cod_data_source_block           IREFEQ
_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_cell_volume        5841.7(12)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2104489