LMucko/crystallography-open-database huggingface dataset:
Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties
Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja042222t

data_4100612
_publ_section_title
;
Copper(I) 1,2,4-Triazolates and Related Complexes:
Studies of the Solvothermal Ligand Reactions, Network
Topologies, and Photoluminescence Properties
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja042222t
_journal_year                    2005
_chemical_formula_sum            'C2 H2 Cu N3'
_chemical_formula_weight         131.61
_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                79.648(4)
_cell_angle_beta                 79.043(3)
_cell_angle_gamma                78.855(4)
_cell_formula_units_Z            8
_cell_length_a                   8.0017(7)
_cell_length_b                   8.5956(7)
_cell_length_c                   10.5915(9)
_cell_measurement_temperature    293(2)
_cell_volume                     693.94(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.519
_cod_database_code               4100612
Copper(I) 1,2,4-Triazolates and Related Complexes: Studies of the Solvothermal Ligand Reactions, Network Topologies, and Photoluminescence Properties
Zhang, Jie-Peng; Lin, Yan-Yong; Huang, Xiao-Chun; Chen, Xiao-Ming; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja042222t

data_4100613
_publ_section_title
;
Copper(I) 1,2,4-Triazolates and Related Complexes:
Studies of the Solvothermal Ligand Reactions, Network
Topologies, and Photoluminescence Properties
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja042222t
_journal_year                    2005
_chemical_formula_sum            'C2 H2 Ag N3'
_chemical_formula_weight         175.94
_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                80.177(4)
_cell_angle_beta                 79.310(6)
_cell_angle_gamma                84.147(6)
_cell_formula_units_Z            8
_cell_length_a                   8.1270(6)
_cell_length_b                   8.7159(7)
_cell_length_c                   11.4385(9)
_cell_measurement_temperature    293(2)
_cell_volume                     782.43(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.987
_cod_database_code               4100613
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja042258l

data_4100614
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja042258l
_journal_year                    2005
_chemical_formula_moiety         'C5 H11 N3 O2'
_chemical_formula_sum            'C5 H11 N3 O2'
_chemical_formula_weight         145.17
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.314(3)
_cell_length_b                   7.148(3)
_cell_length_c                   16.263(6)
_cell_measurement_temperature    223(2)
_cell_volume                     734.0(5)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.314
_refine_diff_density_rms         0.028
_cod_database_code               4100614
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja042334k

data_4100615
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja042334k
_journal_year                    2005
_chemical_formula_moiety
' 2(C72 H96 Co9 N48 O24 W6), 2(H4 O2), 15(H4 O2), 13(H4 O2), 4(H2 O)'
_chemical_formula_sum            'C144 H268 Co18 N96 O86 W12'
_chemical_formula_weight         7987.48
_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                 114.012(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   28.764(9)
_cell_length_b                   19.258(6)
_cell_length_c                   32.519(10)
_cell_measurement_temperature    293(2)
_cell_volume                     16455(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.612
_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 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4100615
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja042334k

data_4100616
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja042334k
_journal_year                    2005
_chemical_formula_moiety
'2(C72 H96 Co9 Mo6 N48 O24), 8(C H4 O), 5(H4 O2), 17(H4 O2), 3(H4 O2), 4(H2 O)'
_chemical_formula_sum            'C152 H288 Co18 Mo12 N96 O88'
_chemical_formula_weight         7080.80
_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                 114.241(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   28.72(2)
_cell_length_b                   19.276(13)
_cell_length_c                   32.49(2)
_cell_measurement_temperature    293(2)
_cell_volume                     16403(20)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.434
_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 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4100616
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja042510p

data_4100617
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja042510p
_journal_year                    2005
_chemical_formula_sum            'C32 H20 N O9 P Ru3'
_chemical_formula_weight         896.67
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 93.1040(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.3834(6)
_cell_length_b                   24.0014(16)
_cell_length_c                   14.5305(9)
_cell_measurement_temperature    243(2)
_cell_volume                     3267.7(4)
_diffrn_ambient_temperature      243(2)
_exptl_crystal_density_diffrn    1.823
_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 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4100617
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja042510p

data_4100618
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja042510p
_journal_year                    2005
_chemical_formula_sum            'C40 H29 N O5 P2 Ru2'
_chemical_formula_weight         867.72
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   10.4744(6)
_cell_length_b                   23.1133(11)
_cell_length_c                   30.5198(17)
_cell_measurement_temperature    243(2)
_cell_volume                     7388.8(7)
_diffrn_ambient_temperature      243(2)
_exptl_crystal_density_diffrn    1.560
_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 
;
_cod_database_code               4100618
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja042510p

data_4100619
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja042510p
_journal_year                    2005
_chemical_formula_sum            'C52 H40 N2 O6 P2 Ru3'
_chemical_formula_weight         1154.01
_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                 121.2210(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   34.013(2)
_cell_length_b                   8.9515(5)
_cell_length_c                   18.0183(11)
_cell_measurement_temperature    243(2)
_cell_volume                     4691.4(5)
_diffrn_ambient_temperature      243(2)
_exptl_crystal_density_diffrn    1.634
_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 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4100619
Price, C.P.; Grzesiak, A.L.; Matzger, A.J.; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja042561m

data_4100620
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja042561m
_journal_year                    2005
_chemical_formula_sum            'C10 H11 N3 O3 S'
_chemical_formula_weight         253.28
_chemical_name_common            sulfamethoxazole
_space_group_IT_number           14
_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                90.00
_cell_angle_beta                 107.106(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.640(3)
_cell_length_b                   6.8189(19)
_cell_length_c                   15.419(4)
_cell_measurement_temperature    153(2)
_cell_volume                     1169.7(6)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.438
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4100620
Price, C.P.; Grzesiak, A.L.; Matzger, A.J.; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja042561m

data_4100621
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja042561m
_journal_year                    2005
_chemical_formula_sum            'C10 H11 N3 O3 S'
_chemical_formula_weight         253.28
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 97.080(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.4895(9)
_cell_length_b                   16.761(3)
_cell_length_c                   12.422(2)
_cell_measurement_temperature    153(2)
_cell_volume                     1134.2(3)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.483
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4100621
Price, C.P.; Grzesiak, A.L.; Matzger, A.J.; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja042595u

data_4100622
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja042595u
_journal_year                    2005
_chemical_formula_sum            'C12 H24 O2'
_chemical_formula_weight         200.31
_space_group_IT_number           14
_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                90.00
_cell_angle_beta                 105.708(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.543(3)
_cell_length_b                   6.1234(10)
_cell_length_c                   12.0521(19)
_cell_measurement_temperature    295(2)
_cell_volume                     1246.3(3)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.068
_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 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4100622
Price, C.P.; Grzesiak, A.L.; Matzger, A.J.; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja042595u

data_4100623
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja042595u
_journal_year                    2005
_chemical_formula_sum            'C17 H22 N2 O6'
_chemical_formula_weight         350.37
_space_group_IT_number           14
_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                90.00
_cell_angle_beta                 92.772(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.881(10)
_cell_length_b                   8.843(4)
_cell_length_c                   10.102(5)
_cell_measurement_temperature    295(2)
_cell_volume                     1863.1(15)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.249
_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 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4100623
1,5-Diamino-4-methyltetrazolium dinitramide
Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja042596m

data_4100624
_publ_section_title
;
1,5-Diamino-4-methyltetrazolium dinitramide
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja042596m
_journal_year                    2005
_chemical_formula_sum            'C2 H7 N9 O4'
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_length_a                   5.2632(2)
_cell_length_b                   12.3766(5)
_cell_length_c                   13.1225(6)
_cell_measurement_temperature    200(2)
_cell_volume                     854.81(6)
_diffrn_ambient_temperature      200(2)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_cell_measurement_temperature' value '200(2)K' was changed to
'200(2)' - the value should be numeric and without a unit
designator.

'_diffrn_ambient_temperature' value '200(2)K' was
changed to '200(2)' - the value should be numeric and without a unit
designator.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C2 H7 O4 N9'
_cod_database_code               4100624
1,5-Diamino-4-methyltetrazolium dinitramide
Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja042636m

data_4100625
_publ_section_title
;
1,5-Diamino-4-methyltetrazolium dinitramide
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja042636m
_journal_year                    2005
_chemical_formula_sum            'C26 H20 N2'
_chemical_formula_weight         360.44
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.962(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.536(4)
_cell_length_b                   19.159(8)
_cell_length_c                   11.715(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1914.8(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.250
_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 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4100625
1,5-Diamino-4-methyltetrazolium dinitramide
Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja042636m

data_4100626
_publ_section_title
;
1,5-Diamino-4-methyltetrazolium dinitramide
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja042636m
_journal_year                    2005
_chemical_formula_sum            'C22 H34 I2 N2 Si2'
_chemical_formula_weight         636.49
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.362(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.9427(14)
_cell_length_b                   15.7739(16)
_cell_length_c                   12.9419(14)
_cell_measurement_temperature    293(2)
_cell_volume                     2845.5(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.486
_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 
;
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               4100626
1,5-Diamino-4-methyltetrazolium dinitramide
Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja042636m

data_4100627
_publ_section_title
;
1,5-Diamino-4-methyltetrazolium dinitramide
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja042636m
_journal_year                    2005
_chemical_formula_sum            'C26 H20 N2'
_chemical_formula_weight         360.44
_space_group_IT_number           14
_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                90.00
_cell_angle_beta                 90.385(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.7943(6)
_cell_length_b                   10.6358(11)
_cell_length_c                   15.5975(16)
_cell_measurement_temperature    293(2)
_cell_volume                     961.21(17)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.245
_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 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4100627
1,5-Diamino-4-methyltetrazolium dinitramide
Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja0426692

data_4100628
_publ_section_title
;
1,5-Diamino-4-methyltetrazolium dinitramide
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0426692
_journal_year                    2005
_chemical_formula_moiety         'C35 H64 N2 O3 W2'
_chemical_formula_sum            'C35 H64 N2 O3 W2'
_chemical_formula_weight         928.58
_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                85.5750(10)
_cell_angle_beta                 89.3080(10)
_cell_angle_gamma                89.7330(10)
_cell_formula_units_Z            2
_cell_length_a                   9.23170(10)
_cell_length_b                   11.5165(2)
_cell_length_c                   17.5796(3)
_cell_measurement_temperature    173(2)
_cell_volume                     1863.29(5)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.655
_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 
;
_cod_database_code               4100628