LMucko/crystallography-open-database huggingface dataset:
; Organometallics  (2003) –; doi:

data_4062029
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C91 H118 Fe2 P4'
_chemical_formula_weight         1447.52
_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                76.950(1)
_cell_angle_beta                 80.801(1)
_cell_angle_gamma                78.396(1)
_cell_formula_units_Z            2
_cell_length_a                   12.4156(3)
_cell_length_b                   16.0538(4)
_cell_length_c                   19.3644(5)
_cell_measurement_temperature    293(2)
_cell_volume                     3656.6(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.315
_refine_ls_R_factor_obs          0.0762
_refine_ls_wR_factor_obs         0.1036
_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               4062029
Bis(pentamethylcyclopentadienyl)magnesium: Unexpected Determination of the Until Now Unknown Molecular Structure of the Crystalline Compound
Vollet, Jean; Baum, Elke; Schnöckel, Hansgeorg; Organometallics 22 (2003) 2525–2527; doi:10.1021/om0301031

data_4062030
_publ_section_title
;
 Bis(pentamethylcyclopentadienyl)magnesium: Unexpected Determination
 of the Until Now Unknown Molecular Structure of the Crystalline Compound
;
_journal_coden_ASTM              ORGND7
_journal_issue                   12
_journal_name_full               Organometallics
_journal_page_first              2525
_journal_page_last               2527
_journal_paper_doi               10.1021/om0301031
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'Mg C20 H30'
_chemical_formula_sum            'C20 H30 Mg'
_chemical_formula_weight         294.75
_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                 90.578(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   9.9027(8)
_cell_length_b                   12.7901(8)
_cell_length_c                   23.028(2)
_cell_measurement_temperature    200(2)
_cell_volume                     2916.4(4)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.007
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-01
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062030
; Organometallics  (2003) –; doi:

data_4062031
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C45 H42 N Ni O0.5 P3'
_chemical_formula_weight         756.42
_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                 103.484(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.374(4)
_cell_length_b                   10.0595(18)
_cell_length_c                   19.352(3)
_cell_measurement_temperature    103(2)
_cell_volume                     3856.8(12)
_diffrn_ambient_temperature      103(2)
_exptl_crystal_density_diffrn    1.303
_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_original_formula_sum        'C45 H42 N Ni O0.50 P3'
_cod_database_code               4062031
; Organometallics  (2003) –; doi:

data_4062032
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C44 H46 B2 Cl2 F8 N Ni P3'
_chemical_formula_weight         984.96
_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                   11.5205(11)
_cell_length_b                   24.491(2)
_cell_length_c                   31.730(3)
_cell_measurement_temperature    103(2)
_cell_volume                     8952.7(15)
_diffrn_ambient_temperature      103(2)
_exptl_crystal_density_diffrn    1.462
_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               4062032
; Organometallics  (2003) –; doi:

data_4062033
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C46 H45 I N Ni O0.5 P3'
_chemical_formula_weight         898.35
_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                110.027(2)
_cell_angle_beta                 97.123(2)
_cell_angle_gamma                100.128(2)
_cell_formula_units_Z            2
_cell_length_a                   10.9143(16)
_cell_length_b                   13.252(2)
_cell_length_c                   15.764(2)
_cell_measurement_temperature    100(2)
_cell_volume                     2066.6(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.444
_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_original_formula_sum        'C46 H45 I N Ni O0.50 P3'
_cod_database_code               4062033
; Organometallics  (2003) –; doi:

data_4062034
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C43 H42 B2 F8 N Ni P3'
_chemical_formula_weight         898.02
_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                 91.701(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.8705(11)
_cell_length_b                   11.1792(10)
_cell_length_c                   31.460(3)
_cell_measurement_temperature    100(2)
_cell_volume                     4173.0(7)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.429
_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               4062034
; Organometallics  (2003) –; doi:

data_4062035
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C38 H32 Cl3 N9 O2 Pd3'
_chemical_formula_weight         1072.28
_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                 90.887(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.696(5)
_cell_length_b                   13.416(5)
_cell_length_c                   22.649(9)
_cell_measurement_temperature    168(2)
_cell_volume                     3857(2)
_diffrn_ambient_temperature      168(2)
_exptl_crystal_density_diffrn    1.846
_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               4062035
; Organometallics  (2003) –; doi:

data_4062036
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C36 H48 Fe K2 N4 O2'
_chemical_formula_weight         702.83
_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                 101.3950(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.9890(8)
_cell_length_b                   20.4952(14)
_cell_length_c                   16.1207(11)
_cell_measurement_temperature    203(2)
_cell_volume                     3559.2(4)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.312
_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               4062036
; Organometallics  (2003) –; doi:

data_4062037
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C31.5 H33.5 Fe N5.5'
_chemical_formula_weight         544.99
_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                 100.949(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.6212(15)
_cell_length_b                   17.778(3)
_cell_length_c                   18.306(3)
_cell_measurement_temperature    203(2)
_cell_volume                     2754.6(8)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.314
_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        'C31.50 H33.50 Fe N5.50'
_cod_database_code               4062037
; Organometallics  (2003) –; doi:

data_4062038
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C36 H48 Co K2 N4 O2'
_chemical_formula_weight         705.91
_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                 101.811(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.0006(13)
_cell_length_b                   20.395(3)
_cell_length_c                   16.051(2)
_cell_measurement_temperature    203(2)
_cell_volume                     3525.0(8)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.330
_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               4062038
; Organometallics  (2003) –; doi:

data_4062039
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C64 H80 Fe4 N8 O2'
_chemical_formula_weight         1216.76
_space_group_IT_number           41
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'A 2 -2ab'
_symmetry_space_group_name_H-M   'A e a 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.552(3)
_cell_length_b                   19.537(2)
_cell_length_c                   14.2842(16)
_cell_measurement_temperature    203(2)
_cell_volume                     5735.4(13)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.409
_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 

2021-08-27
Space group name changed to comply with IUCR recomendations
                 miguel
;
_cod_original_sg_symbol_H-M   'A b a 2'
_cod_database_code               4062039
; Organometallics  (2003) –; doi:

data_4062040
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C64 H80 Co2 Fe2 N8 O2'
_chemical_formula_weight         1222.92
_space_group_IT_number           41
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'A 2 -2ab'
_symmetry_space_group_name_H-M   'A e a 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.7800(14)
_cell_length_b                   19.5453(13)
_cell_length_c                   14.2942(10)
_cell_measurement_temperature    223(2)
_cell_volume                     5805.6(7)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.399
_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 

2021-08-27
Space group name changed to comply with IUCR recomendations
                 miguel
;
_cod_original_sg_symbol_H-M   'A b a 2'
_cod_database_code               4062040
; Organometallics  (2003) –; doi:

data_4062041
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C32 H40 N P Pt Si2'
_chemical_formula_weight         720.89
_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                 98.595(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.1430(10)
_cell_length_b                   16.163(3)
_cell_length_c                   18.231(2)
_cell_measurement_temperature    296(2)
_cell_volume                     3246.6(7)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.475
_refine_ls_R_factor_obs          0.0355
_refine_ls_wR_factor_obs         0.0867
_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               4062041
; Organometallics  (2003) –; doi:

data_4062042
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C31 H38 N P Pt Si2'
_chemical_formula_weight         706.86
_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                   10.8742(12)
_cell_length_b                   15.8714(19)
_cell_length_c                   18.2411(15)
_cell_measurement_temperature    296(2)
_cell_volume                     3148.2(6)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.491
_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               4062042
; Organometallics  (2003) –; doi:

data_4062043
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C7 H17 Li O P2'
_chemical_formula_weight         186.09
_space_group_IT_number           205
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            24
_cell_length_a                   19.067(2)
_cell_length_b                   19.067(2)
_cell_length_c                   19.067(2)
_cell_measurement_temperature    183(2)
_cell_volume                     6931.7(13)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    1.070
_cod_original_sg_symbol_H-M      '? ? ? ?'
_cod_database_code               4062043
; Organometallics  (2003) –; doi:

data_4062044
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C7 H17 Na O P2'
_chemical_formula_weight         202.14
_space_group_IT_number           148
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            18
_cell_length_a                   15.621(6)
_cell_length_b                   15.621(6)
_cell_length_c                   27.707(6)
_cell_measurement_temperature    183(2)
_cell_volume                     5855(3)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    1.032
_cod_original_sg_symbol_H-M      '? ? ? ?'
_cod_database_code               4062044
; Organometallics  (2003) –; doi:

data_4062045
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C10 H25 O P3'
_chemical_formula_sum            'C10 H25 O P3'
_chemical_formula_weight         254.21
_chemical_name_common            Bis-alkohol
_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                 91.210(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.2609(17)
_cell_length_b                   10.6574(17)
_cell_length_c                   13.7229(12)
_cell_measurement_temperature    183(2)
_cell_volume                     1500.3(4)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    1.125
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062045
; Organometallics  (2003) –; doi:

data_4062046
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C36 H84 Li6 O2 P6'
_chemical_formula_sum            'C36 H84 Li6 O2 P6'
_chemical_formula_weight         776.5
_chemical_name_common            Li-alkoxid
_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                 103.000(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.440(2)
_cell_length_b                   17.2540(13)
_cell_length_c                   14.1210(13)
_cell_measurement_temperature    183(2)
_cell_volume                     5089.8(8)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    1.013
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4062046
; Organometallics  (2003) –; doi:

data_4062047
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C20 H45 Li3 O P6'
_chemical_formula_sum            'C20 H45 Li3 O P6'
_chemical_formula_weight         508.20
_chemical_name_common            Alkoxid-Li3-Dianion
_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                81.323(7)
_cell_angle_beta                 89.812(7)
_cell_angle_gamma                73.27(2)
_cell_formula_units_Z            2
_cell_length_a                   9.0869(19)
_cell_length_b                   11.851(2)
_cell_length_c                   15.175(3)
_cell_measurement_temperature    183(2)
_cell_volume                     1545.8(5)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    1.092
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'triclinic'' was replaced with
'triclinic' value as specified in the replacement file
'/home/robertas/cod-tools/perl-scripts/inputs/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4062047