LMucko/crystallography-open-database huggingface dataset:
New Group 4 Organometallic and Imido Compounds of Diamide-Diamine and Related Dianionic O~2~N~2~-Donor Ligands
Skinner, M. E. G.; Toupance, T.; Cowhig, D. A.; Tyrrell, B. R.; Mountford, P.; Organometallics 24 (2005) 5586–5603; doi:10.1021/om0506365

data_4061766
_publ_section_title
;
New Group 4 Organometallic and Imido Compounds of Diamide-Diamine
and Related Dianionic O~2~N~2~-Donor Ligands
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              5586
_journal_page_last               5603
_journal_paper_doi               10.1021/om0506365
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C28 H49 N5 Si2 Ti1'
_chemical_formula_sum            'C28 H49 N5 Si2 Ti'
_chemical_formula_weight         559.8
_space_group_IT_number           57
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.8632(4)
_cell_length_b                   18.413(1)
_cell_length_c                   17.507(1)
_cell_measurement_temperature    170
_cell_volume                     3179.4(8)
_diffrn_ambient_temperature      170
_exptl_crystal_density_diffrn    1.17
_refine_ls_R_factor_obs          0.0574
_refine_ls_wR_factor_obs         0.0434
_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_formula_sum        ' C28 H49 N5 Si2 Ti1 '
_cod_database_code               4061766
New Group 4 Organometallic and Imido Compounds of Diamide-Diamine and Related Dianionic O~2~N~2~-Donor Ligands
Skinner, M. E. G.; Toupance, T.; Cowhig, D. A.; Tyrrell, B. R.; Mountford, P.; Organometallics 24 (2005) 5586–5603; doi:10.1021/om0506365

data_4061767
_publ_section_title
;
New Group 4 Organometallic and Imido Compounds of Diamide-Diamine
and Related Dianionic O~2~N~2~-Donor Ligands
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              5586
_journal_page_last               5603
_journal_paper_doi               10.1021/om0506365
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C25 H52 N6 Si2 Zr1'
_chemical_formula_sum            'C25 H52 N6 Si2 Zr'
_chemical_formula_weight         584.12
_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
_cell_angle_beta                 103.30(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.586(1)
_cell_length_b                   16.247(1)
_cell_length_c                   20.632(2)
_cell_measurement_temperature    175
_cell_volume                     3127(1)
_diffrn_ambient_temperature      175
_exptl_crystal_density_diffrn    1.24
_refine_ls_R_factor_obs          0.0253
_refine_ls_wR_factor_obs         0.0260
_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        'C25 H52 N6 Si2 Zr1'
_cod_database_code               4061767
New Group 4 Organometallic and Imido Compounds of Diamide-Diamine and Related Dianionic O~2~N~2~-Donor Ligands
Skinner, M. E. G.; Toupance, T.; Cowhig, D. A.; Tyrrell, B. R.; Mountford, P.; Organometallics 24 (2005) 5586–5603; doi:10.1021/om0506365

data_4061768
_publ_section_title
;
New Group 4 Organometallic and Imido Compounds of Diamide-Diamine
and Related Dianionic O~2~N~2~-Donor Ligands
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              5586
_journal_page_last               5603
_journal_paper_doi               10.1021/om0506365
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C20 H41 Cl1 N5 Si2 Ta1'
_chemical_formula_sum            'C20 H41 Cl N5 Si2 Ta'
_chemical_formula_weight         624.16
_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                 100.19(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.828(1)
_cell_length_b                   14.178(2)
_cell_length_c                   31.148(3)
_cell_measurement_temperature    175
_cell_volume                     5576(1)
_diffrn_ambient_temperature      175
_exptl_crystal_density_diffrn    1.49
_refine_ls_R_factor_obs          0.0246
_refine_ls_wR_factor_obs         0.0293
_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        'C20 H41 Cl1 N5 Si2 Ta1'
_cod_database_code               4061768
New Group 4 Organometallic and Imido Compounds of Diamide-Diamine and Related Dianionic O~2~N~2~-Donor Ligands
Skinner, M. E. G.; Toupance, T.; Cowhig, D. A.; Tyrrell, B. R.; Mountford, P.; Organometallics 24 (2005) 5586–5603; doi:10.1021/om0506365

data_4061769
_publ_section_title
;
New Group 4 Organometallic and Imido Compounds of Diamide-Diamine
and Related Dianionic O~2~N~2~-Donor Ligands
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              5586
_journal_page_last               5603
_journal_paper_doi               10.1021/om0506365
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C14 H24 N2 O2'
_chemical_formula_sum            'C14 H24 N2 O2'
_chemical_formula_weight         252.36
_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                 107.934(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.8201(5)
_cell_length_b                   6.2365(2)
_cell_length_c                   16.7248(7)
_cell_measurement_temperature    150
_cell_volume                     1470.7(1)
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.140
_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               4061769
New Group 4 Organometallic and Imido Compounds of Diamide-Diamine and Related Dianionic O~2~N~2~-Donor Ligands
Skinner, M. E. G.; Toupance, T.; Cowhig, D. A.; Tyrrell, B. R.; Mountford, P.; Organometallics 24 (2005) 5586–5603; doi:10.1021/om0506365

data_4061770
_publ_section_title
;
New Group 4 Organometallic and Imido Compounds of Diamide-Diamine
and Related Dianionic O~2~N~2~-Donor Ligands
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              5586
_journal_page_last               5603
_journal_paper_doi               10.1021/om0506365
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C44 H88 N4 O4 Si4 Zr2'
_chemical_formula_sum            'C44 H88 N4 O4 Si4 Zr2'
_chemical_formula_weight         1031.99
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                107.2552(8)
_cell_angle_beta                 95.4488(8)
_cell_angle_gamma                95.4178(9)
_cell_formula_units_Z            4
_cell_length_a                   11.0613(2)
_cell_length_b                   13.2371(2)
_cell_length_c                   20.4745(4)
_cell_measurement_temperature    150
_cell_volume                     2826.21(9)
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.213
_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               4061770
; Organometallics  (2005) –; doi:10.1021/om050638p

data_4061771
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050638p
_journal_year                    2005
_chemical_formula_sum            'C39 H35 Ir N2 O2'
_chemical_formula_weight         755.89
_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                 104.766(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.5280(9)
_cell_length_b                   15.3837(13)
_cell_length_c                   20.2382(17)
_cell_measurement_temperature    294(2)
_cell_volume                     3169.5(5)
_diffrn_ambient_temperature      294(2)
_exptl_crystal_density_diffrn    1.584
_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               4061771
; Organometallics  (2005) –; doi:10.1021/om050638p

data_4061772
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050638p
_journal_year                    2005
_chemical_formula_sum            'C37 H31 Ir N2 O4'
_chemical_formula_weight         759.84
_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                 106.259(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.1759(14)
_cell_length_b                   17.5288(14)
_cell_length_c                   20.9671(16)
_cell_measurement_temperature    294(2)
_cell_volume                     6060.2(8)
_diffrn_ambient_temperature      294(2)
_exptl_crystal_density_diffrn    1.666
_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               4061772
; Organometallics  (2005) –; doi:10.1021/om050638p

data_4061773
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050638p
_journal_year                    2005
_chemical_formula_moiety         'C37 H31 Ir1 N2 O2'
_chemical_formula_sum            'C37 H31 Ir N2 O2'
_chemical_formula_weight         727.84
_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                   12.4090(5)
_cell_length_b                   17.3690(10)
_cell_length_c                   28.4470(15)
_cell_measurement_temperature    200(2)
_cell_volume                     6131.2(5)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.577
_cod_database_code               4061773
; Organometallics  (2005) –; doi:10.1021/om050638p

data_4061774
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050638p
_journal_year                    2005
_chemical_formula_moiety         'C39 H37 Ir1 N2 O5'
_chemical_formula_sum            'C39 H37 Ir N2 O5'
_chemical_formula_weight         805.91
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 101.2710(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.9550(2)
_cell_length_b                   15.5250(2)
_cell_length_c                   21.8250(2)
_cell_measurement_temperature    200(2)
_cell_volume                     6963.31(13)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.537
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               4061774
; Organometallics  (2005) –; doi:10.1021/om050643t

data_4061775
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050643t
_journal_year                    2005
_chemical_formula_sum            'C28 H43 F6 O2 P Ru3'
_chemical_formula_weight         859.80
_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                104.487(5)
_cell_angle_beta                 95.241(5)
_cell_angle_gamma                106.719(5)
_cell_formula_units_Z            2
_cell_length_a                   10.884(5)
_cell_length_b                   11.085(5)
_cell_length_c                   13.831(5)
_cell_measurement_temperature    153(2)
_cell_volume                     1523.2(11)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.875
_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               4061775
; Organometallics  (2005) –; doi:10.1021/om050643t

data_4061776
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050643t
_journal_year                    2005
_chemical_formula_sum            'C30 H45 B F4 O2 Ru3'
_chemical_formula_weight         827.68
_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                 93.597(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.9242(11)
_cell_length_b                   21.3124(13)
_cell_length_c                   10.3496(8)
_cell_measurement_temperature    153(2)
_cell_volume                     3065.3(4)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.794
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4061776
; Organometallics  (2005) –; doi:10.1021/om050643t

data_4061777
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050643t
_journal_year                    2005
_chemical_formula_sum            'C37 H56 B Cl2 F4 N O4 Ru3'
_chemical_formula_weight         1039.75
_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                 103.247(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.2027(5)
_cell_length_b                   19.8105(7)
_cell_length_c                   18.6674(9)
_cell_measurement_temperature    153(2)
_cell_volume                     4032.6(3)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.713
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4061777
; Organometallics  (2005) –; doi:10.1021/om050643t

data_4061778
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050643t
_journal_year                    2005
_chemical_formula_sum            'C36 H56 B Cl2 F4 N O4 Ru3'
_chemical_formula_weight         1027.74
_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                 106.791(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.7187(8)
_cell_length_b                   11.2686(7)
_cell_length_c                   16.9618(12)
_cell_measurement_temperature    153(2)
_cell_volume                     1961.4(2)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.740
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4061778
; Organometallics  (2005) –; doi:10.1021/om050643t

data_4061779
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050643t
_journal_year                    2005
_chemical_formula_moiety
{[Ru3OH3(C14H21NO4)(C12H18)2](PF6)(CH2Cl2)(H2O)3}
_chemical_formula_sum            'C40 H68 Cl2 F6 N O8 P Ru3'
_chemical_formula_weight         1210.03
_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                 91.279(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.5340(6)
_cell_length_b                   11.1589(4)
_cell_length_c                   32.2030(13)
_cell_measurement_temperature    173(2)
_cell_volume                     5221.5(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.539
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4061779
; Organometallics  (2005) –; doi:10.1021/om050664n

data_4061780
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050664n
_journal_year                    2005
_chemical_formula_moiety         'C44 H47 Cl O9 P2 Ru '
_chemical_formula_sum            'C44 H47 Cl O9 P2 Ru'
_chemical_formula_weight         918.32
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.9549(13)
_cell_length_b                   12.856(2)
_cell_length_c                   36.668(5)
_cell_measurement_temperature    173.1
_cell_volume                     4221.2(11)
_exptl_crystal_density_diffrn    1.445
_cod_original_formula_sum        'C44 H47 Cl O9 P2 Ru '
_cod_database_code               4061780
; Organometallics  (2005) –; doi:10.1021/om050664n

data_4061781
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050664n
_journal_year                    2005
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'
_chemical_formula_moiety         'C44 H47 Cl O9 P2 Ru '
_chemical_formula_sum            'C44 H47 Cl O9 P2 Ru'
_chemical_formula_weight         918.32
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.947(2)
_cell_length_b                   12.850(3)
_cell_length_c                   36.617(7)
_cell_measurement_temperature    173.1
_cell_volume                     4209.7(14)
_exptl_crystal_density_diffrn    1.449
_cod_original_formula_sum        'C44 H47 Cl O9 P2 Ru '
_cod_database_code               4061781
; Organometallics  (2005) –; doi:10.1021/om050664n

data_4061782
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050664n
_journal_year                    2005
_chemical_formula_moiety         'C49 H45 Cl N O9 P Ru '
_chemical_formula_sum            'C49 H45 Cl N O9 P Ru'
_chemical_formula_weight         959.39
_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                 93.164(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.2604(4)
_cell_length_b                   23.9503(9)
_cell_length_c                   13.5294(5)
_cell_measurement_temperature    173.1
_cell_volume                     4290.3(3)
_exptl_crystal_density_diffrn    1.485
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C49 H45 Cl N O9 P Ru '
_cod_database_code               4061782
; Organometallics  (2005) –; doi:10.1021/om050664n

data_4061783
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050664n
_journal_year                    2005
_chemical_formula_moiety         'C38.50 H43.50 Cl1.50 N O8 P2 Ru '
_chemical_formula_sum            'C38.5 H43.5 Cl1.5 N O8 P2 Ru'
_chemical_formula_weight         864.47
_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                104.400(2)
_cell_angle_beta                 100.860(2)
_cell_angle_gamma                93.692(1)
_cell_formula_units_Z            2
_cell_length_a                   8.9268(4)
_cell_length_b                   11.6343(4)
_cell_length_c                   19.467(1)
_cell_measurement_temperature    143.1
_cell_volume                     1910.0(2)
_exptl_crystal_density_diffrn    1.503
_cod_original_formula_sum        'C38.50 H43.50 Cl1.50 N O8 P2 Ru '
_cod_database_code               4061783