LMucko/crystallography-open-database huggingface dataset:
Square Planar versus Tetrahedral NiS~4~ Cores in the Coordination Spheres of (HMB)Ru(II) and Cp*Ru(III) and a related CuS~4~ Complex. Synthetic, Single Crystal X-ray Diffraction and Magnetic Studies {HMB = η^6^-C~6~Me~6~ and Cp* = η^5^-C~5~Me~5~}
Shin, Richard Y. C.; Teo, Ming Ern; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.; Goh, Lai Yoong; Murray, Keith S.; Moubaraki, Boujemaa; Zhou, X.-Y.; Organometallics 24 (2005) 4265–4273; doi:10.1021/om050200p

data_4061474
_publ_section_title
;
Square Planar versus Tetrahedral NiS~4~ Cores in the Coordination Spheres 
of (HMB)Ru(II) and Cp*Ru(III) and a related CuS~4~ Complex. Synthetic, 
Single Crystal X-ray Diffraction and Magnetic Studies {HMB = \h^6^-C~6~Me~6~ 
and Cp* = \h^5^-C~5~Me~5~}
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4265
_journal_page_last               4273
_journal_paper_doi               10.1021/om050200p
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C31 H52 F12 Ni O P2 Ru2 S6'
_chemical_formula_weight         1183.88
_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                 92.0050(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   40.8312(14)
_cell_length_b                   12.0357(4)
_cell_length_c                   18.0096(6)
_cell_measurement_temperature    223(2)
_cell_volume                     8845.1(5)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.778
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061474
Square Planar versus Tetrahedral NiS~4~ Cores in the Coordination Spheres of (HMB)Ru(II) and Cp*Ru(III) and a related CuS~4~ Complex. Synthetic, Single Crystal X-ray Diffraction and Magnetic Studies {HMB = η^6^-C~6~Me~6~ and Cp* = η^5^-C~5~Me~5~}
Shin, Richard Y. C.; Teo, Ming Ern; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.; Goh, Lai Yoong; Murray, Keith S.; Moubaraki, Boujemaa; Zhou, X.-Y.; Organometallics 24 (2005) 4265–4273; doi:10.1021/om050200p

data_4061475
_publ_section_title
;
Square Planar versus Tetrahedral NiS~4~ Cores in the Coordination Spheres 
of (HMB)Ru(II) and Cp*Ru(III) and a related CuS~4~ Complex. Synthetic, 
Single Crystal X-ray Diffraction and Magnetic Studies {HMB = \h^6^-C~6~Me~6~ 
and Cp* = \h^5^-C~5~Me~5~}
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4265
_journal_page_last               4273
_journal_paper_doi               10.1021/om050200p
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C18 H29 Cu F12 N2 P2 Ru S3'
_chemical_formula_weight         824.16
_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                62.461(4)
_cell_angle_beta                 63.603(5)
_cell_angle_gamma                77.387(5)
_cell_formula_units_Z            2
_cell_length_a                   12.019(3)
_cell_length_b                   12.320(3)
_cell_length_c                   12.471(3)
_cell_measurement_temperature    295(2)
_cell_volume                     1466.6(6)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.866
_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               4061475
Square Planar versus Tetrahedral NiS~4~ Cores in the Coordination Spheres of (HMB)Ru(II) and Cp*Ru(III) and a related CuS~4~ Complex. Synthetic, Single Crystal X-ray Diffraction and Magnetic Studies {HMB = η^6^-C~6~Me~6~ and Cp* = η^5^-C~5~Me~5~}
Shin, Richard Y. C.; Teo, Ming Ern; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.; Goh, Lai Yoong; Murray, Keith S.; Moubaraki, Boujemaa; Zhou, X.-Y.; Organometallics 24 (2005) 4265–4273; doi:10.1021/om050200p

data_4061476
_publ_section_title
;
Square Planar versus Tetrahedral NiS~4~ Cores in the Coordination Spheres 
of (HMB)Ru(II) and Cp*Ru(III) and a related CuS~4~ Complex. Synthetic, 
Single Crystal X-ray Diffraction and Magnetic Studies {HMB = \h^6^-C~6~Me~6~ 
and Cp* = \h^5^-C~5~Me~5~}
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4265
_journal_page_last               4273
_journal_paper_doi               10.1021/om050200p
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C28.25 H48 Cu F12 O0.5 P2 Ru2 S6'
_chemical_formula_weight         1143.65
_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                71.7830(10)
_cell_angle_beta                 74.9610(10)
_cell_angle_gamma                72.2410(10)
_cell_formula_units_Z            4
_cell_length_a                   12.2374(5)
_cell_length_b                   17.5939(7)
_cell_length_c                   22.0809(9)
_cell_measurement_temperature    223(2)
_cell_volume                     4229.3(3)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.796
_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        'C28.25 H48 Cu F12 O0.50 P2 Ru2 S6'
_cod_database_code               4061476
Square Planar versus Tetrahedral NiS~4~ Cores in the Coordination Spheres of (HMB)Ru(II) and Cp*Ru(III) and a related CuS~4~ Complex. Synthetic, Single Crystal X-ray Diffraction and Magnetic Studies {HMB = η^6^-C~6~Me~6~ and Cp* = η^5^-C~5~Me~5~}
Shin, Richard Y. C.; Teo, Ming Ern; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.; Goh, Lai Yoong; Murray, Keith S.; Moubaraki, Boujemaa; Zhou, X.-Y.; Organometallics 24 (2005) 4265–4273; doi:10.1021/om050200p

data_4061477
_publ_section_title
;
Square Planar versus Tetrahedral NiS~4~ Cores in the Coordination Spheres 
of (HMB)Ru(II) and Cp*Ru(III) and a related CuS~4~ Complex. Synthetic, 
Single Crystal X-ray Diffraction and Magnetic Studies {HMB = \h^6^-C~6~Me~6~ 
and Cp* = \h^5^-C~5~Me~5~}
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4265
_journal_page_last               4273
_journal_paper_doi               10.1021/om050200p
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C36 H62 Cu F12 N O P2 Ru2 S6'
_chemical_formula_weight         1272.85
_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                64.5150(10)
_cell_angle_beta                 70.1110(10)
_cell_angle_gamma                86.3170(10)
_cell_formula_units_Z            2
_cell_length_a                   12.5958(8)
_cell_length_b                   14.3941(9)
_cell_length_c                   16.0703(10)
_cell_measurement_temperature    223(2)
_cell_volume                     2461.6(3)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.717
_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               4061477
Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation
Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.; Organometallics 24 (2005) 3279–3289; doi:10.1021/om050202+

data_4061478
_publ_section_title
;
Boroxide Complexes of the group 4 Metals: A 'Non-Innocent'
Ligand in Olefin Polymerisation
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3279
_journal_page_last               3289
_journal_paper_doi               10.1021/om050202+
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C44 H60 B2 Cl2 O4 Ti1'
_chemical_formula_sum            'C44 H60 B2 Cl2 O4 Ti'
_chemical_formula_weight         793.34
_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
_cell_angle_beta                 92.251(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.3334(2)
_cell_length_b                   24.8889(5)
_cell_length_c                   16.5983(4)
_cell_measurement_temperature    173(2)
_cell_volume                     4265.57(16)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.235
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C44 H60 B2 Cl2 O4 Ti1'
_cod_database_code               4061478
Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation
Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.; Organometallics 24 (2005) 3279–3289; doi:10.1021/om050202+

data_4061479
_publ_section_title
;
Boroxide Complexes of the group 4 Metals: A 'Non-Innocent'
Ligand in Olefin Polymerisation
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3279
_journal_page_last               3289
_journal_paper_doi               10.1021/om050202+
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C44 H60 B2 Cl2 Hf1 O4'
_chemical_formula_sum            'C44 H60 B2 Cl2 Hf O4'
_chemical_formula_weight         923.93
_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
_cell_angle_beta                 91.582(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.3030(1)
_cell_length_b                   25.2472(3)
_cell_length_c                   16.7087(2)
_cell_measurement_temperature    173(2)
_cell_volume                     4344.64(8)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.413
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C44 H60 B2 Cl2 Hf1 O4'
_cod_database_code               4061479
Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation
Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.; Organometallics 24 (2005) 3279–3289; doi:10.1021/om050202+

data_4061480
_publ_section_title
;
Boroxide Complexes of the group 4 Metals: A 'Non-Innocent'
Ligand in Olefin Polymerisation
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3279
_journal_page_last               3289
_journal_paper_doi               10.1021/om050202+
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C108 H134 B6 O8 Zr2, 4(C5 H12)'
_chemical_formula_sum            'C128 H182 B6 O8 Zr2'
_chemical_formula_weight         2096.04
_chemical_name_common            '[{Zr(OH)(OBMes2)3}2].4(pentane)'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                99.632(1)
_cell_angle_beta                 115.774(1)
_cell_angle_gamma                94.824(1)
_cell_formula_units_Z            1
_cell_length_a                   14.0750(3)
_cell_length_b                   15.3388(3)
_cell_length_c                   16.1859(4)
_cell_measurement_temperature    173(2)
_cell_volume                     3053.63(12)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.14
_cod_database_code               4061480
Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation
Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.; Organometallics 24 (2005) 3279–3289; doi:10.1021/om050202+

data_4061481
_publ_section_title
;
Boroxide Complexes of the group 4 Metals: A 'Non-Innocent'
Ligand in Olefin Polymerisation
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3279
_journal_page_last               3289
_journal_paper_doi               10.1021/om050202+
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C27 H35 B1 Cl2 O1 Ti1'
_chemical_formula_sum            'C27 H35 B Cl2 O Ti'
_chemical_formula_weight         505.16
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_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                   14.9688(7)
_cell_length_b                   19.8758(11)
_cell_length_c                   17.3339(10)
_cell_measurement_temperature    173(2)
_cell_volume                     5157.1(5)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.301
_cod_original_formula_sum        'C27 H35 B1 Cl2 O1 Ti1'
_cod_database_code               4061481
Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation
Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.; Organometallics 24 (2005) 3279–3289; doi:10.1021/om050202+

data_4061482
_publ_section_title
;
Boroxide Complexes of the group 4 Metals: A 'Non-Innocent'
Ligand in Olefin Polymerisation
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3279
_journal_page_last               3289
_journal_paper_doi               10.1021/om050202+
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C28 H32 B1 Cl1 O1 Ti1'
_chemical_formula_sum            'C28 H32 B Cl O Ti'
_chemical_formula_weight         478.7
_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
_cell_angle_beta                 92.471(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.2133(3)
_cell_length_b                   24.4108(9)
_cell_length_c                   12.7151(6)
_cell_measurement_temperature    173(2)
_cell_volume                     2546.92(18)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.248
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C28 H32 B1 Cl1 O1 Ti1'
_cod_database_code               4061482
Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation
Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.; Organometallics 24 (2005) 3279–3289; doi:10.1021/om050202+

data_4061483
_publ_section_title
;
Boroxide Complexes of the group 4 Metals: A 'Non-Innocent'
Ligand in Olefin Polymerisation
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3279
_journal_page_last               3289
_journal_paper_doi               10.1021/om050202+
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C61 H73 B3 O3 Ti, C5 H12'
_chemical_formula_sum            'C66 H85 B3 O3 Ti'
_chemical_formula_weight         1006.67
_chemical_name_common            '[B(CH2Ph){OB(mes)2}3].pentane'
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.847(2)
_cell_angle_beta                 95.609(2)
_cell_angle_gamma                118.391(2)
_cell_formula_units_Z            2
_cell_length_a                   14.0992(7)
_cell_length_b                   14.5950(7)
_cell_length_c                   17.1898(9)
_cell_measurement_temperature    173(2)
_cell_volume                     3070.8(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.089
_cod_database_code               4061483
Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation
Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.; Organometallics 24 (2005) 3279–3289; doi:10.1021/om050202+

data_4061484
_publ_section_title
;
Boroxide Complexes of the group 4 Metals: A 'Non-Innocent'
Ligand in Olefin Polymerisation
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3279
_journal_page_last               3289
_journal_paper_doi               10.1021/om050202+
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C61 H73 B3 Hf1 O3, 0.5(C5 H12)'
_chemical_formula_sum            'C63.5 H79 B3 Hf O3'
_chemical_formula_weight         1101.19
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.180(2)
_cell_angle_beta                 94.640(2)
_cell_angle_gamma                104.603(2)
_cell_formula_units_Z            2
_cell_length_a                   12.2043(4)
_cell_length_b                   15.7658(4)
_cell_length_c                   16.3282(6)
_cell_measurement_temperature    173(2)
_cell_volume                     2897.62(16)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.262
_cod_original_formula_sum        'C63.50 H79 B3 Hf O3'
_cod_database_code               4061484
Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation
Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.; Organometallics 24 (2005) 3279–3289; doi:10.1021/om050202+

data_4061485
_publ_section_title
;
Boroxide Complexes of the group 4 Metals: A 'Non-Innocent'
Ligand in Olefin Polymerisation
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3279
_journal_page_last               3289
_journal_paper_doi               10.1021/om050202+
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C72 H88 B4 Hf1 O4'
_chemical_formula_sum            'C72 H88 B4 Hf O4'
_chemical_formula_weight         1239.15
_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
_cell_angle_beta                 119.350(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.147(2)
_cell_length_b                   14.8478(7)
_cell_length_c                   21.429(2)
_cell_measurement_temperature    173(2)
_cell_volume                     6419.4(9)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.282
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C72 H88 B4 Hf1 O4'
_cod_database_code               4061485
Efficient One-Pot Synthesis of a,ß-Unsaturated Carbyne Complexes fac-[RuX3{=CC(H)=CR2}(dppf)] (X = Cl, Br; R = Aryl, Alkyl; dppf = 1,1´-Bis(diphenylphosphino)ferrocene)
Victorio Cadierno; Josefina Díez; Sergi E. García-Ǵarrido; José Gimeno; Organometallics  (2005) –; doi:10.1021/om050204u

data_4061486
_publ_section_title
;
 Efficient One-Pot Synthesis of a,\&s-Unsaturated Carbyne Complexes
 fac-[RuX3{=CC(H)=CR2}(dppf)] (X = Cl, Br; R = Aryl, Alkyl;
 dppf = 1,1&#x00B4;-Bis(diphenylphosphino)ferrocene)
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050204u
_journal_year                    2005
_chemical_formula_moiety         'C49 H39 Cl3 Fe P2 Ru'
_chemical_formula_sum            'C49 H39 Cl3 Fe P2 Ru'
_chemical_formula_weight         953.01
_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                 93.156(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.512(3)
_cell_length_b                   15.153(4)
_cell_length_c                   27.063(6)
_cell_measurement_temperature    223(2)
_cell_volume                     4714.1(19)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.343
_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               4061486
; Organometallics  (2005) –; doi:10.1021/om050204u

data_4061487
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050204u
_journal_year                    2005
_chemical_formula_moiety         'C43 H43 Cl3 Fe P2 Ru, C2 H4 Cl2'
_chemical_formula_sum            'C45 H47 Cl5 Fe P2 Ru'
_chemical_formula_weight         983.94
_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                 98.2650(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.68080(10)
_cell_length_b                   13.63090(10)
_cell_length_c                   18.82760(10)
_cell_measurement_temperature    100(2)
_cell_volume                     4236.45(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.543
_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               4061487