LMucko/crystallography-open-database huggingface dataset:
; Organometallics  (2004) –; doi:10.1021/om049716j

data_4062845
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049716j
_journal_year                    2004
_chemical_formula_sum            'C23 H44 Cl N3 P2 Ru'
_chemical_formula_weight         561.07
_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                105.9080(19)
_cell_angle_beta                 93.9650(17)
_cell_angle_gamma                98.136(2)
_cell_formula_units_Z            2
_cell_length_a                   8.7040(3)
_cell_length_b                   10.6320(3)
_cell_length_c                   15.5630(5)
_cell_measurement_temperature    120(2)
_cell_volume                     1362.28(7)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.368
_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               4062845
; Organometallics  (2004) –; doi:10.1021/om049716j

data_4062846
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049716j
_journal_year                    2004
_chemical_formula_sum            'C26 H47 N O3 P2 Ru'
_chemical_formula_weight         584.66
_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                 91.32(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.785(3)
_cell_length_b                   12.146(2)
_cell_length_c                   16.231(3)
_cell_measurement_temperature    120(2)
_cell_volume                     2914.0(10)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.333
_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               4062846
; Organometallics  (2004) –; doi:

data_4062847
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C38 H32 Cd F20 N4 O2 Pt'
_chemical_formula_weight         1264.17
_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                 96.821(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.837(2)
_cell_length_b                   9.9630(8)
_cell_length_c                   17.4955(15)
_cell_measurement_temperature    173(2)
_cell_volume                     4125.5(6)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    2.035
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4062847
; Organometallics  (2004) –; doi:

data_4062848
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C42 H42 Cd F10 N4 O2 Pt'
_chemical_formula_weight         1132.29
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.53400(10)
_cell_length_b                   19.22200(10)
_cell_length_c                   27.5390(2)
_cell_measurement_temperature    173.0(10)
_cell_volume                     8752.35(9)
_diffrn_ambient_temperature      173.0(10)
_exptl_crystal_density_diffrn    1.719
_cod_database_code               4062848
; Organometallics  (2004) –; doi:

data_4062849
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C33.5 H30 Cd Cl F10 N5 O4.5 Pt'
_chemical_formula_weight         1107.57
_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                 90.239(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.7984(18)
_cell_length_b                   17.239(3)
_cell_length_c                   17.132(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3779.8(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.946
_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_original_formula_sum        'C33.50 H30 Cd Cl F10 N5 O4.50 Pt'
_cod_database_code               4062849
; Organometallics  (2004) –; doi:

data_4062850
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C23 H26 Cd Cl2 F10 N4 O Pt'
_chemical_formula_weight         942.87
_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                79.633(3)
_cell_angle_beta                 81.820(3)
_cell_angle_gamma                74.375(3)
_cell_formula_units_Z            2
_cell_length_a                   9.7955(14)
_cell_length_b                   12.1984(18)
_cell_length_c                   12.6514(18)
_cell_measurement_temperature    100(2)
_cell_volume                     1425.0(4)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    2.197
_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               4062850
; Organometallics  (2004) –; doi:

data_4062851
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C16 H40 Cd2 Cl4 N8 O8'
_chemical_formula_weight         839.16
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.5374(10)
_cell_length_b                   15.2365(13)
_cell_length_c                   15.5517(13)
_cell_measurement_temperature    173(2)
_cell_volume                     2970.8(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.876
_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_original_sg_symbol_H-M      'P ? ? ?'
_cod_database_code               4062851
; Organometallics  (2004) –; doi:

data_4062852
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C20 H20 N2 O2 Se3'
_chemical_formula_weight         557.26
_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                 106.40(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.847(3)
_cell_length_b                   12.576(3)
_cell_length_c                   12.486(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2085.9(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.775
_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               4062852
; Organometallics  (2004) –; doi:

data_4062853
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C10 H10 Cl N O Se'
_chemical_formula_weight         274.60
_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                 97.288(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   7.7682(9)
_cell_length_b                   14.3617(10)
_cell_length_c                   18.5991(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2058.2(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.772
_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               4062853
; Organometallics  (2004) –; doi:

data_4062854
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C20 H20 Br2 N2 O2 Se2'
_chemical_formula_weight         638.12
_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                 97.4610(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.8729(4)
_cell_length_b                   14.4935(7)
_cell_length_c                   18.7790(9)
_cell_measurement_temperature    293(2)
_cell_volume                     2124.65(18)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.995
_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'
_cod_database_code               4062854
; Organometallics  (2004) –; doi:

data_4062855
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C10 H10 I0.5 N O Se0.5'
_chemical_formula_weight         263.12
_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                 103.302(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.8141(10)
_cell_length_b                   16.109(2)
_cell_length_c                   9.1770(12)
_cell_measurement_temperature    293(2)
_cell_volume                     1124.2(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.555
_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_original_formula_sum        'C10 H10 I0.50 N O Se0.50'
_cod_database_code               4062855
; Organometallics  (2004) –; doi:

data_4062856
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C16 H15 N O S Se'
_chemical_formula_weight         348.31
_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                 112.554(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.6779(11)
_cell_length_b                   7.6783(4)
_cell_length_c                   15.2080(11)
_cell_measurement_temperature    293(2)
_cell_volume                     1475.03(18)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.568
_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               4062856
; Organometallics  (2004) –; doi:

data_4062857
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C20 H20 N2 O Se'
_chemical_formula_weight         383.34
_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                 104.128(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.4922(5)
_cell_length_b                   12.9919(10)
_cell_length_c                   9.5241(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1498.98(15)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.699
_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               4062857
; Organometallics  (2004) –; doi:

data_4062858
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C16 H16 Se2'
_chemical_formula_weight         366.21
_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                 98.559(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.2196(7)
_cell_length_b                   4.8868(4)
_cell_length_c                   16.9818(14)
_cell_measurement_temperature    293(2)
_cell_volume                     674.52(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.803
_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 

2022-02-21
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C32 H32 Se4'
_cod_original_formula_weight         732.42
_cod_original_formula_units_Z            1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062858
; Organometallics  (2004) –; doi:

data_4062859
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C30 H28 Cl8 O5 Pd'
_chemical_formula_weight         858.52
_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                 90.171(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0282(7)
_cell_length_b                   21.2453(15)
_cell_length_c                   15.1970(11)
_cell_measurement_temperature    173(2)
_cell_volume                     3237.7(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.761
_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               4062859
; Organometallics  (2004) –; doi:

data_4062860
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C41 H35 Cl8 N3 O4 Pd'
_chemical_formula_weight         1023.72
_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                75.0470(10)
_cell_angle_beta                 75.0760(10)
_cell_angle_gamma                66.4740(10)
_cell_formula_units_Z            2
_cell_length_a                   10.4110(5)
_cell_length_b                   12.2527(6)
_cell_length_c                   18.4200(9)
_cell_measurement_temperature    173(2)
_cell_volume                     2049.53(17)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.659
_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               4062860
; Organometallics  (2004) –; doi:

data_4062861
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C28 H30 Cl2 O2 Pd2'
_chemical_formula_weight         682.28
_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                 115.8670(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            10
_cell_length_a                   10.8809(5)
_cell_length_b                   11.6299(5)
_cell_length_c                   11.3255(5)
_cell_measurement_temperature    173(2)
_cell_volume                     1289.58(10)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    6.220
_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               4062861
; Organometallics  (2004) –; doi:

data_4062862
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C38 H28 Cl8 O5 Pd'
_chemical_formula_weight         954.60
_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                 102.447(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.5200(11)
_cell_length_b                   16.6745(16)
_cell_length_c                   19.9685(19)
_cell_measurement_temperature    173(2)
_cell_volume                     3745.6(6)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.693
_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               4062862
; Organometallics  (2004) –; doi:

data_4062863
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C39 H25 Cl8 N O4 Pd'
_chemical_formula_weight         961.60
_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                69.050(2)
_cell_angle_beta                 85.353(2)
_cell_angle_gamma                66.661(2)
_cell_formula_units_Z            2
_cell_length_a                   12.1192(12)
_cell_length_b                   12.1820(12)
_cell_length_c                   15.1276(15)
_cell_measurement_temperature    173(2)
_cell_volume                     1910.3(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.672
_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               4062863