LMucko/crystallography-open-database huggingface dataset:
Synthesis, Structural Characterization, Ligand Displacement Reaction, and Electrochemical Property of Ruthenium Complexes Incorporating Linked Cyclopentadienyl-Carboranyl Ligands
Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei; Organometallics 23 (2004) 5864–5872; doi:10.1021/om0493816

data_4061014
_publ_section_title
;
 Synthesis, Structural Characterization, Ligand Displacement Reaction, and
 Electrochemical Property of Ruthenium Complexes Incorporating Linked
 Cyclopentadienyl-Carboranyl Ligands
;
_journal_coden_ASTM              ORGND7
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5864
_journal_page_last               5872
_journal_paper_doi               10.1021/om0493816
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C36 H44 B10 P2 Ru'
_chemical_formula_weight         747.82
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.4840(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.1421(5)
_cell_length_b                   17.6693(9)
_cell_length_c                   11.2531(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1817.15(17)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.367
_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               4061014
Synthesis, Structural Characterization, Ligand Displacement Reaction, and Electrochemical Property of Ruthenium Complexes Incorporating Linked Cyclopentadienyl-Carboranyl Ligands
Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei; Organometallics 23 (2004) 5864–5872; doi:10.1021/om0493816

data_4061015
_publ_section_title
;
 Synthesis, Structural Characterization, Ligand Displacement Reaction, and
 Electrochemical Property of Ruthenium Complexes Incorporating Linked
 Cyclopentadienyl-Carboranyl Ligands
;
_journal_coden_ASTM              ORGND7
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5864
_journal_page_last               5872
_journal_paper_doi               10.1021/om0493816
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C35 H42 B10 P2 Ru'
_chemical_formula_weight         733.80
_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                 95.0900(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.1673(5)
_cell_length_b                   18.1414(11)
_cell_length_c                   21.1693(12)
_cell_measurement_temperature    293(2)
_cell_volume                     3506.7(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.390
_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               4061015
Synthesis, Structural Characterization, Ligand Displacement Reaction, and Electrochemical Property of Ruthenium Complexes Incorporating Linked Cyclopentadienyl-Carboranyl Ligands
Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei; Organometallics 23 (2004) 5864–5872; doi:10.1021/om0493816

data_4061016
_publ_section_title
;
 Synthesis, Structural Characterization, Ligand Displacement Reaction, and
 Electrochemical Property of Ruthenium Complexes Incorporating Linked
 Cyclopentadienyl-Carboranyl Ligands
;
_journal_coden_ASTM              ORGND7
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5864
_journal_page_last               5872
_journal_paper_doi               10.1021/om0493816
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C40 H58 B20 O P2 Ru'
_chemical_formula_weight         934.07
_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                 96.9270(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.3032(5)
_cell_length_b                   31.3240(15)
_cell_length_c                   13.2866(6)
_cell_measurement_temperature    293(2)
_cell_volume                     4669.9(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.329
_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               4061016
Synthesis, Structural Characterization, Ligand Displacement Reaction, and Electrochemical Property of Ruthenium Complexes Incorporating Linked Cyclopentadienyl-Carboranyl Ligands
Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei; Organometallics 23 (2004) 5864–5872; doi:10.1021/om0493816

data_4061017
_publ_section_title
;
 Synthesis, Structural Characterization, Ligand Displacement Reaction, and
 Electrochemical Property of Ruthenium Complexes Incorporating Linked
 Cyclopentadienyl-Carboranyl Ligands
;
_journal_coden_ASTM              ORGND7
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5864
_journal_page_last               5872
_journal_paper_doi               10.1021/om0493816
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C20 H28 B10 N2 Ru'
_chemical_formula_weight         505.61
_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                105.908(2)
_cell_angle_beta                 91.420(2)
_cell_angle_gamma                102.019(2)
_cell_formula_units_Z            2
_cell_length_a                   9.1418(10)
_cell_length_b                   9.5495(11)
_cell_length_c                   14.1986(17)
_cell_measurement_temperature    293(2)
_cell_volume                     1161.5(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.446
_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               4061017
Comparative Study on Tetrahedral and Tripodal Luminescent Silane and Methane Compounds with a 2,2'-Dipyridylamino Group
Bai, Dong-Ren; Wang, Suning; Organometallics 23 (2004) 5958–5966; doi:10.1021/om049382y

data_4061018
_publ_section_title
;
 Comparative Study on Tetrahedral and Tripodal Luminescent Silane
 and Methane Compounds with a 2,2'-Dipyridylamino Group
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              5958
_journal_page_last               5966
_journal_paper_doi               10.1021/om049382y
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C72 H56 Cl24 N12 Si'
_chemical_formula_weight         1968.18
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/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                   25.5779(17)
_cell_length_b                   25.5779(17)
_cell_length_c                   13.7775(14)
_cell_measurement_temperature    298(2)
_cell_volume                     9013.6(12)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.450
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
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      'I 41/a'
_cod_database_code               4061018
Comparative Study on Tetrahedral and Tripodal Luminescent Silane and Methane Compounds with a 2,2'-Dipyridylamino Group
Bai, Dong-Ren; Wang, Suning; Organometallics 23 (2004) 5958–5966; doi:10.1021/om049382y

data_4061019
_publ_section_title
;
 Comparative Study on Tetrahedral and Tripodal Luminescent Silane
 and Methane Compounds with a 2,2'-Dipyridylamino Group
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              5958
_journal_page_last               5966
_journal_paper_doi               10.1021/om049382y
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C65 H48 N12'
_chemical_formula_weight         997.15
_space_group_IT_number           86
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.558(3)
_cell_length_b                   14.558(3)
_cell_length_c                   11.723(4)
_cell_measurement_temperature    296(2)
_cell_volume                     2484.7(11)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.333
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
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 42/n'
_cod_database_code               4061019
Dehydrogenative Ga‒Ga Coupling and Hydrogallation in Gallium Hydride Complexes of 3,5-Dimethylpyridine
Nogai, Stefan D.; Schmidbaur, Hubert; Organometallics 23 (2004) 5877–5880; doi:10.1021/om049393r

data_4061020
_publ_section_title
;
 Dehydrogenative Ga--Ga Coupling and Hydrogallation in Gallium Hydride
 Complexes of 3,5-Dimethylpyridine
;
_journal_coden_ASTM              ORGND7
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5877
_journal_page_last               5880
_journal_paper_doi               10.1021/om049393r
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C14 H18 Cl4 Ga2 N2'
_chemical_formula_weight         495.54
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 117.0185(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.1994(3)
_cell_length_b                   7.3604(2)
_cell_length_c                   8.6468(2)
_cell_measurement_temperature    143(2)
_cell_volume                     975.17(4)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    1.688
_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/m'
_cod_database_code               4061020
Dehydrogenative Ga‒Ga Coupling and Hydrogallation in Gallium Hydride Complexes of 3,5-Dimethylpyridine
Nogai, Stefan D.; Schmidbaur, Hubert; Organometallics 23 (2004) 5877–5880; doi:10.1021/om049393r

data_4061021
_publ_section_title
;
 Dehydrogenative Ga--Ga Coupling and Hydrogallation in Gallium Hydride
 Complexes of 3,5-Dimethylpyridine
;
_journal_coden_ASTM              ORGND7
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5877
_journal_page_last               5880
_journal_paper_doi               10.1021/om049393r
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C14 H21 Ga N2'
_chemical_formula_weight         287.05
_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                 100.895(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.0226(3)
_cell_length_b                   10.9023(4)
_cell_length_c                   16.8366(7)
_cell_measurement_temperature    143(2)
_cell_volume                     1446.07(10)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    1.318
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4061021
Preparation and Structural Characterization of Transition Metal Complexes Featuring the Ferrocenyl(bromo)boryl Ligand
Braunschweig, Holger; Radacki, Krzysztof; Rais, Daniela; Seeler, Fabian; Organometallics 23 (2004) 5545–5549; doi:10.1021/om049395b

data_4061022
_publ_section_title
;
 Preparation and Structural Characterization of Transition Metal Complexes
 Featuring the Ferrocenyl(bromo)boryl Ligand
;
_journal_coden_ASTM              ORGND7
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              5545
_journal_page_last               5549
_journal_paper_doi               10.1021/om049395b
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C22 H24 B Br Fe2 O2'
_chemical_formula_weight         522.83
_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                85.535(4)
_cell_angle_beta                 84.145(4)
_cell_angle_gamma                84.520(4)
_cell_formula_units_Z            4
_cell_length_a                   10.944(2)
_cell_length_b                   13.612(3)
_cell_length_c                   14.781(3)
_cell_measurement_temperature    173(2)
_cell_volume                     2175.3(7)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.596
_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               4061022
Preparation and Structural Characterization of Transition Metal Complexes Featuring the Ferrocenyl(bromo)boryl Ligand
Braunschweig, Holger; Radacki, Krzysztof; Rais, Daniela; Seeler, Fabian; Organometallics 23 (2004) 5545–5549; doi:10.1021/om049395b

data_4061023
_publ_section_title
;
 Preparation and Structural Characterization of Transition Metal Complexes
 Featuring the Ferrocenyl(bromo)boryl Ligand
;
_journal_coden_ASTM              ORGND7
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              5545
_journal_page_last               5549
_journal_paper_doi               10.1021/om049395b
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         (CpFe(C5H4))(Br)B-Fe(CO)2(MeC)5
_chemical_formula_sum            'C17 H14 B Br Fe2 O2'
_chemical_formula_weight         452.70
_chemical_name_common
;
  (bromoferrocenyl)boryl(Cyclopentadienyldicarbonyl)iron
;
_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                101.120(2)
_cell_angle_beta                 103.739(2)
_cell_angle_gamma                101.924(2)
_cell_formula_units_Z            2
_cell_length_a                   8.4152(7)
_cell_length_b                   8.8418(8)
_cell_length_c                   11.7294(10)
_cell_measurement_temperature    193(2)
_cell_volume                     802.14(12)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.874
_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               4061023
Preparation and Structural Characterization of Transition Metal Complexes Featuring the Ferrocenyl(bromo)boryl Ligand
Braunschweig, Holger; Radacki, Krzysztof; Rais, Daniela; Seeler, Fabian; Organometallics 23 (2004) 5545–5549; doi:10.1021/om049395b

data_4061024
_publ_section_title
;
 Preparation and Structural Characterization of Transition Metal Complexes
 Featuring the Ferrocenyl(bromo)boryl Ligand
;
_journal_coden_ASTM              ORGND7
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              5545
_journal_page_last               5549
_journal_paper_doi               10.1021/om049395b
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         ((C6H11)3P)2PtBr2B(C5H4)Fe(C5H5)
_chemical_formula_sum            'C46 H75 B Br2 Fe P2 Pt'
_chemical_formula_weight         1111.57
_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                 91.7350(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.2527(7)
_cell_length_b                   23.6332(15)
_cell_length_c                   19.2560(12)
_cell_measurement_temperature    173(2)
_cell_volume                     4663.7(5)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.583
_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               4061024
Experimental and Computational Studies of Ru(II) Catalyzed Addition of Arene C-H Bonds to Olefins
Lail, Marty; Bell, Christen M.; Conner, David M.; Cundari, Thomas R.; Gunnoe, T. Brent; Petersen, Jeffrey L.; Organometallics  (2004) –; doi:10.1021/om049404g

data_4061025
_publ_section_title
;
Experimental and Computational Studies of Ru(II) Catalyzed Addition of
Arene C-H Bonds to Olefins
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049404g
_journal_year                    2004
_chemical_formula_moiety         'C20 H22 B N7 O Ru'
_chemical_formula_sum            'C20 H22 B N7 O Ru'
_chemical_formula_weight         488.33
_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                 92.715(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.6082(9)
_cell_length_b                   12.2077(10)
_cell_length_c                   15.9446(13)
_cell_measurement_temperature    295(2)
_cell_volume                     2257.0(3)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.437
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061025
Synthesis and Structure of Potassium and Samarium Phosphine(phosphinimino)methanides
Gamer, Michael T.; Roesky, Peter W.; Organometallics 23 (2004) 5540–5544; doi:10.1021/om049409d

data_4061026
_publ_section_title
;
 Synthesis and Structure of Potassium and Samarium
 Phosphine(phosphinimino)methanides
;
_journal_coden_ASTM              ORGND7
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              5540
_journal_page_last               5544
_journal_paper_doi               10.1021/om049409d
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C31.5 H34 K N P2 Si'
_chemical_formula_weight         555.72
_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                77.86(3)
_cell_angle_beta                 86.31(3)
_cell_angle_gamma                85.86(3)
_cell_formula_units_Z            4
_cell_length_a                   12.087(2)
_cell_length_b                   12.676(3)
_cell_length_c                   20.777(4)
_cell_measurement_temperature    203(2)
_cell_volume                     3100.2(11)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.191
_cod_database_code               4061026