LMucko/crystallography-open-database huggingface dataset:
Anion influence on the structures of a series of copper(II) metal-organic frameworks
Diaz, Pilar; Benet-Buchholz, Jordi; Vilar, Ramon; White, Andrew J.P.; Inorganic Chemistry  (2006) –; doi:10.1021/ic051457i

data_4300504
_publ_section_title
;
Anion influence on the structures of a series of copper(II)
 metal-organic frameworks
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051457i
_journal_year                    2006
_chemical_formula_sum            'C26 H48.17 Cl Cu N8 O13.92'
_chemical_formula_weight         794.56
_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                 97.563(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.1072(2)
_cell_length_b                   23.9835(7)
_cell_length_c                   18.0800(5)
_cell_measurement_temperature    90(2)
_cell_volume                     3914.72(18)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.348
_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               4300504
Anion influence on the structures of a series of copper(II) metal-organic frameworks
Diaz, Pilar; Benet-Buchholz, Jordi; Vilar, Ramon; White, Andrew J.P.; Inorganic Chemistry  (2006) –; doi:10.1021/ic051457i

data_4300505
_publ_section_title
;
Anion influence on the structures of a series of copper(II)
 metal-organic frameworks
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051457i
_journal_year                    2006
_chemical_formula_sum            'C17 H20 Cu N4 O5'
_chemical_formula_weight         423.91
_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                 93.798(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.2047(5)
_cell_length_b                   18.3674(10)
_cell_length_c                   10.8366(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1828.08(18)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.540
_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               4300505
Anion influence on the structures of a series of copper(II) metal-organic frameworks
Diaz, Pilar; Benet-Buchholz, Jordi; Vilar, Ramon; White, Andrew J.P.; Inorganic Chemistry  (2006) –; doi:10.1021/ic051457i

data_4300506
_publ_section_title
;
Anion influence on the structures of a series of copper(II)
 metal-organic frameworks
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051457i
_journal_year                    2006
_chemical_formula_sum            'C26 H36 Cu N8 O10 S'
_chemical_formula_weight         716.23
_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                 105.693(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   13.6925(7)
_cell_length_b                   47.613(2)
_cell_length_c                   14.3110(9)
_cell_measurement_temperature    173(2)
_cell_volume                     8982.2(8)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.589
_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               4300506
Anion influence on the structures of a series of copper(II) metal-organic frameworks
Diaz, Pilar; Benet-Buchholz, Jordi; Vilar, Ramon; White, Andrew J.P.; Inorganic Chemistry  (2006) –; doi:10.1021/ic051457i

data_4300507
_publ_section_title
;
Anion influence on the structures of a series of copper(II)
 metal-organic frameworks
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051457i
_journal_year                    2006
_chemical_formula_sum            'C26 H42 Cl2 Cu N8 O9'
_chemical_formula_weight         745.12
_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                 105.118(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.0549(6)
_cell_length_b                   21.4021(9)
_cell_length_c                   15.4420(10)
_cell_measurement_temperature    173(2)
_cell_volume                     3527.1(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.403
_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               4300507
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051471v

data_4300508
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051471v
_journal_year                    2006
_chemical_formula_sum            'C108 H88 Cl2 Fe2 N2 O8'
_chemical_formula_weight         1724.40
_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            4
_cell_length_a                   13.751(3)
_cell_length_b                   23.133(5)
_cell_length_c                   27.455(6)
_cell_measurement_temperature    173(2)
_cell_volume                     8734(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.311
_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               4300508
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051471v

data_4300509
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051471v
_journal_year                    2006
_chemical_formula_sum            'C112 H100 Fe2 N2 O9'
_chemical_formula_weight         1729.64
_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                115.140(3)
_cell_angle_beta                 91.959(4)
_cell_angle_gamma                93.572(4)
_cell_formula_units_Z            2
_cell_length_a                   14.516(3)
_cell_length_b                   17.236(4)
_cell_length_c                   20.031(5)
_cell_measurement_temperature    173(2)
_cell_volume                     4517.8(18)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.271
_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               4300509
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051471v

data_4300510
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051471v
_journal_year                    2006
_chemical_formula_sum            'C110 H94 Fe2 N2 O8'
_chemical_formula_weight         1683.57
_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                 107.498(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.774(3)
_cell_length_b                   23.088(5)
_cell_length_c                   14.488(3)
_cell_measurement_temperature    173(2)
_cell_volume                     4394.4(15)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.272
_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               4300510
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051471v

data_4300511
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051471v
_journal_year                    2006
_chemical_formula_sum            'C101 H92 Cl5 Fe2 N2 O8'
_chemical_formula_weight         1750.72
_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                 117.387(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.219(2)
_cell_length_b                   10.8186(16)
_cell_length_c                   29.434(4)
_cell_measurement_temperature    173(2)
_cell_volume                     4303.1(10)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.351
_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               4300511
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051471v

data_4300512
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051471v
_journal_year                    2006
_chemical_formula_sum            'C98 H86 Fe2 N2 O8'
_chemical_formula_weight         1531.39
_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                115.544(3)
_cell_angle_beta                 108.042(4)
_cell_angle_gamma                98.087(4)
_cell_formula_units_Z            1
_cell_length_a                   12.311(3)
_cell_length_b                   13.322(3)
_cell_length_c                   14.608(3)
_cell_measurement_temperature    173(2)
_cell_volume                     1947.5(8)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.306
_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               4300512
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051471v

data_4300513
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051471v
_journal_year                    2006
_chemical_formula_sum            'C98 H86 Fe2 N2 O8'
_chemical_formula_weight         1531.39
_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                 106.178(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.775(3)
_cell_length_b                   24.890(8)
_cell_length_c                   15.118(5)
_cell_measurement_temperature    173(2)
_cell_volume                     3894(2)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.306
_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               4300513
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051471v

data_4300514
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051471v
_journal_year                    2006
_chemical_formula_sum            'C90 H62 F8 Fe2 N2 O8'
_chemical_formula_weight         1563.12
_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                84.355(2)
_cell_angle_beta                 86.811(2)
_cell_angle_gamma                67.916(2)
_cell_formula_units_Z            2
_cell_length_a                   12.2612(16)
_cell_length_b                   13.3582(17)
_cell_length_c                   23.981(3)
_cell_measurement_temperature    173(2)
_cell_volume                     3621.2(8)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.434
_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               4300514
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051476s

data_4300515
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051476s
_journal_year                    2006
_chemical_formula_sum            'C95 H62 Cl2 F8 Fe2 N O8 P'
_chemical_formula_weight         1711.03
_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                80.799(2)
_cell_angle_beta                 89.079(2)
_cell_angle_gamma                86.533(2)
_cell_formula_units_Z            2
_cell_length_a                   13.6676(14)
_cell_length_b                   14.0155(14)
_cell_length_c                   21.278(2)
_cell_measurement_temperature    173(2)
_cell_volume                     4016.0(7)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.415
_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               4300515
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051476s

data_4300516
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051476s
_journal_year                    2006
_chemical_formula_sum            'C98 H93 Cl3 Fe2 N O8 S'
_chemical_formula_weight         1662.84
_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                 95.8440(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.0032(6)
_cell_length_b                   26.3878(12)
_cell_length_c                   24.6935(12)
_cell_measurement_temperature    173(2)
_cell_volume                     8428.9(7)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.310
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'Monoclinc' was replaced with
'monoclinic' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4300516
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051476s

data_4300517
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051476s
_journal_year                    2006
_chemical_formula_sum            'C108 H92 Cl2 Fe2 N2 O10 S2'
_chemical_formula_weight         1824.56
_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                107.009(2)
_cell_angle_beta                 103.260(2)
_cell_angle_gamma                95.274(3)
_cell_formula_units_Z            1
_cell_length_a                   12.3481(13)
_cell_length_b                   13.2842(13)
_cell_length_c                   14.8486(16)
_cell_measurement_temperature    173(2)
_cell_volume                     2233.7(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.356
_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               4300517
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051476s

data_4300518
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051476s
_journal_year                    2006
_chemical_formula_sum            'C52 H44 Fe N2 O4 S2'
_chemical_formula_weight         880.86
_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                 115.123(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.821(19)
_cell_length_b                   12.262(12)
_cell_length_c                   21.18(2)
_cell_measurement_temperature    173(2)
_cell_volume                     4425(8)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.322
_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               4300518
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051476s

data_4300519
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051476s
_journal_year                    2006
_chemical_formula_sum            'C122 H110 Cl12 Fe6 N2 O18 P2'
_chemical_formula_weight         2714.56
_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                78.407(3)
_cell_angle_beta                 77.951(3)
_cell_angle_gamma                63.832(3)
_cell_formula_units_Z            1
_cell_length_a                   14.508(2)
_cell_length_b                   15.852(3)
_cell_length_c                   15.904(3)
_cell_measurement_temperature    173(2)
_cell_volume                     3185.5(9)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.415
_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               4300519
; Inorganic Chemistry  (2006) –; doi:10.1021/ic051476s

data_4300520
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051476s
_journal_year                    2006
_chemical_formula_sum            'C96 H68 Cl6 F8 Fe2 N O12 P'
_chemical_formula_weight         1934.88
_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                78.235(3)
_cell_angle_beta                 86.110(2)
_cell_angle_gamma                86.837(3)
_cell_formula_units_Z            2
_cell_length_a                   12.9063(17)
_cell_length_b                   14.1811(18)
_cell_length_c                   24.990(3)
_cell_measurement_temperature    173(2)
_cell_volume                     4463.4(10)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.440
_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               4300520