LMucko/crystallography-open-database huggingface dataset:
A Ruthenium(II) Complex Stabilized by a Highly Fluorinated PCP Pincer Ligand
Gagliardo, Marcella; Chase, Preston A.; Lutz, Martin; Spek, Anthony L.; Havenith, Remco W. A.; Hartl, Frantisek; van Klink, Gerard P. M.; van Koten, Gerard; Organometallics  (2005) –; doi:10.1021/om050422n

data_4061613
_publ_section_title
;
A Ruthenium(II) Complex Stabilized by a Highly
Fluorinated PCP Pincer Ligand
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050422n
_journal_year                    2005
_chemical_formula_moiety         'C50 H22 Cl F20 P3 Ru'
_chemical_formula_sum            'C50 H22 Cl F20 P3 Ru'
_chemical_formula_weight         1232.11
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.9208(3)
_cell_angle_beta                 106.6401(3)
_cell_angle_gamma                112.0818(3)
_cell_formula_units_Z            2
_cell_length_a                   12.1513(1)
_cell_length_b                   14.5284(1)
_cell_length_c                   15.7986(1)
_cell_measurement_temperature    150(2)
_cell_volume                     2315.99(3)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.767
_cod_database_code               4061613
A Ruthenium(II) Complex Stabilized by a Highly Fluorinated PCP Pincer Ligand
Gagliardo, Marcella; Chase, Preston A.; Lutz, Martin; Spek, Anthony L.; Havenith, Remco W. A.; Hartl, Frantisek; van Klink, Gerard P. M.; van Koten, Gerard; Organometallics  (2005) –; doi:10.1021/om050422n

data_4061614
_publ_section_title
;
A Ruthenium(II) Complex Stabilized by a Highly
Fluorinated PCP Pincer Ligand
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050422n
_journal_year                    2005
_chemical_formula_moiety         'C50 H42 Cl1 P3 Ru1'
_chemical_formula_sum            'C50 H42 Cl P3 Ru'
_chemical_formula_weight         872.27
_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                 95.720(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.0044(5)
_cell_length_b                   17.2981(6)
_cell_length_c                   13.9084(4)
_cell_measurement_temperature    150(2)
_cell_volume                     4070.7(2)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.423
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C50 H42 Cl1 P3 Ru1'
_cod_database_code               4061614
A New Way to Scorpionate Niobium Complexes: Terminal Alkyne, Imido and Oxo Complexes, and the Rearrangement of a-Agostic Ethyl Complexes
Oulié, Pascal; Bréfuel, Nicolas; Vendier, Laure; Duhayon, Carine; Etienne, Michel; Organometallics 24 (2005) 4306–4314; doi:10.1021/om050423f

data_4061615
_publ_section_title
;
A New Way to Scorpionate Niobium Complexes: Terminal Alkyne,
Imido and Oxo Complexes, and the Rearrangement of a-Agostic
Ethyl Complexes
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4306
_journal_page_last               4314
_journal_paper_doi               10.1021/om050423f
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C24 H30 B1 Cl2 N6 Nb1'
_chemical_formula_sum            'C24 H30 B Cl2 N6 Nb'
_chemical_formula_weight         577.16
_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                74.971(5)
_cell_angle_beta                 85.341(5)
_cell_angle_gamma                84.280(6)
_cell_formula_units_Z            2
_cell_length_a                   10.4566(8)
_cell_length_b                   11.1476(7)
_cell_length_c                   11.9708(6)
_cell_measurement_temperature    180(2)
_cell_measurement_wavelength     0.71073
_cell_volume                     1338.72(15)
_diffrn_ambient_temperature      180
_exptl_crystal_density_diffrn    1.432
_cod_database_code               4061615
A New Way to Scorpionate Niobium Complexes: Terminal Alkyne, Imido and Oxo Complexes, and the Rearrangement of a-Agostic Ethyl Complexes
Oulié, Pascal; Bréfuel, Nicolas; Vendier, Laure; Duhayon, Carine; Etienne, Michel; Organometallics 24 (2005) 4306–4314; doi:10.1021/om050423f

data_4061616
_publ_section_title
;
A New Way to Scorpionate Niobium Complexes: Terminal Alkyne,
Imido and Oxo Complexes, and the Rearrangement of a-Agostic
Ethyl Complexes
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4306
_journal_page_last               4314
_journal_paper_doi               10.1021/om050423f
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C18 H23 B1 Cl2 F3 N6 Nb1 O0.33'
_chemical_formula_sum            'C18 H23 B Cl2 F3 N6 Nb O0.33'
_chemical_formula_weight         561.04
_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                72.442(5)
_cell_angle_beta                 71.083(5)
_cell_angle_gamma                70.172(5)
_cell_formula_units_Z            6
_cell_length_a                   13.909(5)
_cell_length_b                   16.844(5)
_cell_length_c                   17.769(5)
_cell_measurement_temperature    180
_cell_volume                     3617.7(20)
_diffrn_ambient_temperature      180
_exptl_crystal_density_diffrn    1.545
_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        'C18 H23 B1 Cl2 F3 N6 Nb1 O0.33'
_cod_database_code               4061616
; Organometallics  (2005) –; doi:10.1021/om050426s

data_4061617
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050426s
_journal_year                    2005
_chemical_formula_moiety         'C16 H34 Al N Si3'
_chemical_formula_sum            'C16 H34 Al N Si3'
_chemical_formula_weight         351.69
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.7464(4)
_cell_length_b                   14.1803(4)
_cell_length_c                   12.1479(3)
_cell_measurement_temperature    173(2)
_cell_volume                     2195.71(11)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.064
_cod_database_code               4061617
; Organometallics  (2005) –; doi:10.1021/om050426s

data_4061618
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050426s
_journal_year                    2005
_chemical_formula_moiety         'C18 H38 Al N Si3'
_chemical_formula_sum            'C18 H38 Al N Si3'
_chemical_formula_weight         379.74
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                85.4238(8)
_cell_angle_beta                 75.5482(9)
_cell_angle_gamma                62.6172(8)
_cell_formula_units_Z            2
_cell_length_a                   8.8068(2)
_cell_length_b                   8.9623(2)
_cell_length_c                   17.2181(4)
_cell_measurement_temperature    173(2)
_cell_volume                     1167.59(5)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.080
_cod_original_sg_symbol_Hall     '-P  1'
_cod_database_code               4061618
; Organometallics  (2005) –; doi:10.1021/om050426s

data_4061619
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050426s
_journal_year                    2005
_chemical_formula_moiety         'C34 H34 Al B F15 N Si3, 0.5(C7 H8)'
_chemical_formula_sum            'C37.5 H38 Al B F15 N Si3'
_chemical_formula_weight         909.75
_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                 113.1518(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.4717(3)
_cell_length_b                   16.2706(2)
_cell_length_c                   25.7972(4)
_cell_measurement_temperature    173(2)
_cell_volume                     8286.6(2)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.458
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C37.50 H38 Al B F15 N Si3'
_cod_database_code               4061619
A Stable Vanadium(V)-Methyl Complex
Junji Yamada; Organometallics  (2005) –; doi:10.1021/om0504295

data_4061620
_publ_section_title
;
A Stable Vanadium(V)-Methyl Complex
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0504295
_journal_year                    2005
_chemical_formula_moiety         'C26 H45 Cl N3 V '
_chemical_formula_sum            'C26 H45 Cl N3 V'
_chemical_formula_weight         486.06
_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                 90.70(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.908(6)
_cell_length_b                   24.61(1)
_cell_length_c                   12.78(1)
_cell_measurement_temperature    243.1
_cell_volume                     2802(3)
_exptl_crystal_density_diffrn    1.152
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C26 H45 Cl N3 V '
_cod_database_code               4061620
A Stable Vanadium(V)-Methyl Complex
Junji Yamada; Organometallics  (2005) –; doi:10.1021/om0504295

data_4061621
_publ_section_title
;
A Stable Vanadium(V)-Methyl Complex
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0504295
_journal_year                    2005
_chemical_formula_moiety         'C27 H48 N3 V '
_chemical_formula_sum            'C27 H48 N3 V'
_chemical_formula_weight         465.64
_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                98.43(2)
_cell_angle_beta                 104.86(1)
_cell_angle_gamma                107.88(2)
_cell_formula_units_Z            2
_cell_length_a                   9.755(3)
_cell_length_b                   11.703(5)
_cell_length_c                   14.304(6)
_cell_measurement_temperature    243.1
_cell_volume                     1456(1)
_exptl_crystal_density_diffrn    1.062
_cod_original_formula_sum        'C27 H48 N3 V '
_cod_database_code               4061621
; Organometallics  (2005) –; doi:10.1021/om050431w

data_4061622
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050431w
_journal_year                    2005
_chemical_formula_sum            'C14 H17 Co S2'
_chemical_formula_weight         308.33
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 96.82(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.173(2)
_cell_length_b                   8.382(1)
_cell_length_c                   18.589(3)
_cell_measurement_temperature    218(2)
_cell_volume                     2656.8(6)
_diffrn_ambient_temperature      218(2)
_exptl_crystal_density_diffrn    1.542
_refine_ls_R_factor_obs          0.0293
_refine_ls_wR_factor_obs         0.0715
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4061622
; Organometallics  (2005) –; doi:10.1021/om050431w

data_4061623
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050431w
_journal_year                    2005
_chemical_formula_sum            'C22 H20 Co F6 Fe P'
_chemical_formula_weight         544.13
_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                 95.909(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0305(8)
_cell_length_b                   11.3623(5)
_cell_length_c                   18.448(1)
_cell_measurement_temperature    233(2)
_cell_volume                     2091.3(2)
_diffrn_ambient_temperature      233(2)
_exptl_crystal_density_diffrn    1.728
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061623
Redox Dependent Isomerization of Organometallic RuII/RuIII Compounds Containing the Hydrotris(Methimazolyl)Borate Ligand. An Electrochemical Square Scheme Mechanism.
Seah Ling Kuan, Weng Kee Leong; Lai Yoong Goh, Richard D. Webster; Organometallics  (2005) –; doi:10.1021/om050432o

data_4061624
_publ_section_title
;
Redox Dependent Isomerization of Organometallic RuII/RuIII
Compounds Containing the Hydrotris(Methimazolyl)Borate Ligand.
An Electrochemical Square Scheme Mechanism.
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050432o
_journal_year                    2005
_chemical_formula_sum            'C22 H31 B F6 N6 P Ru S3'
_chemical_formula_weight         732.56
_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                66.313(1)
_cell_angle_beta                 70.034(1)
_cell_angle_gamma                86.069(1)
_cell_formula_units_Z            2
_cell_length_a                   10.2117(6)
_cell_length_b                   11.8399(7)
_cell_length_c                   14.4314(8)
_cell_measurement_temperature    223(2)
_cell_volume                     1497.02(15)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.625
_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               4061624
Redox Dependent Isomerization of Organometallic RuII/RuIII Compounds Containing the Hydrotris(Methimazolyl)Borate Ligand. An Electrochemical Square Scheme Mechanism.
Seah Ling Kuan, Weng Kee Leong; Lai Yoong Goh, Richard D. Webster; Organometallics  (2005) –; doi:10.1021/om050432o

data_4061625
_publ_section_title
;
Redox Dependent Isomerization of Organometallic RuII/RuIII
Compounds Containing the Hydrotris(Methimazolyl)Borate Ligand.
An Electrochemical Square Scheme Mechanism.
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050432o
_journal_year                    2005
_chemical_formula_sum            'C22 H32 B N6 O0.5 Ru S3'
_chemical_formula_weight         596.60
_space_group_IT_number           147
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   14.7149(3)
_cell_length_b                   14.7149(3)
_cell_length_c                   10.1605(4)
_cell_measurement_temperature    298(2)
_cell_volume                     1905.29(9)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.040
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
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        'C22 H32 B N6 O0.50 Ru S3'
_cod_database_code               4061625
; Organometallics  (2005) –; doi:10.1021/om050448e

data_4061626
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050448e
_journal_year                    2005
_chemical_formula_sum            'C36 H59 F6 Ir N4 O9 S4'
_chemical_formula_weight         1126.31
_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                101.934(1)
_cell_angle_beta                 95.489(1)
_cell_angle_gamma                103.635(1)
_cell_formula_units_Z            2
_cell_length_a                   11.892(1)
_cell_length_b                   14.532(1)
_cell_length_c                   15.385(1)
_cell_measurement_temperature    293(2)
_cell_volume                     2498.6(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.497
_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               4061626
; Organometallics  (2005) –; doi:10.1021/om050448e

data_4061627
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050448e
_journal_year                    2005
_chemical_formula_sum            'C31 H49 Cl2 F6 N4 O7 Rh S4'
_chemical_formula_weight         1005.79
_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                68.913(1)
_cell_angle_beta                 80.391(1)
_cell_angle_gamma                84.195(1)
_cell_formula_units_Z            2
_cell_length_a                   12.578(1)
_cell_length_b                   13.659(1)
_cell_length_c                   13.886(1)
_cell_measurement_temperature    293(2)
_cell_volume                     2192.5(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.524
_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               4061627
; Organometallics  (2005) –; doi:10.1021/om050448e

data_4061628
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050448e
_journal_year                    2005
_chemical_formula_sum            'C18 H30 N4 S2'
_chemical_formula_weight         366.58
_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                83.124(2)
_cell_angle_beta                 73.692(2)
_cell_angle_gamma                75.836(2)
_cell_formula_units_Z            1
_cell_length_a                   6.430(1)
_cell_length_b                   9.321(1)
_cell_length_c                   9.463(1)
_cell_measurement_temperature    293(2)
_cell_volume                     527.0(1)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.155
_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               4061628
Oxo and hydroxo tantalocene complexes: synthesis and reactivity. X-Ray molecular structures of [(η^5^-Cp*)TaCl(OH)(η^5^-C~5~H~4~SiMe~3~)]^+^Cl^-^, (η^5^-Cp*)Ta=OCl(η^5^-C~5~H~4~SiMe~3~)], [(η^5^-Cp*)TaCl~2~ (η^5^-C~5~H~4~SiMe~3~)]+PF~6~^-^.
Goux, Jerome; Le Gendre, Pierre; Richard, Philippe; Claude, Moise; Organometallics  (2005) –; doi:10.1021/om0504497

data_4061629
_publ_section_title
;
Oxo and hydroxo tantalocene complexes: synthesis and reactivity. X-Ray
molecular structures of [(\h^5^-Cp*)TaCl(OH)(\h^5^-C~5~H~4~SiMe~3~)]^+^Cl^-^,
(\h^5^-Cp*)Ta=OCl(\h^5^-C~5~H~4~SiMe~3~)], [(\h^5^-Cp*)TaCl~2~
(\h^5^-C~5~H~4~SiMe~3~)]+PF~6~^-^.
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0504497
_journal_year                    2005
_chemical_formula_moiety         'C18 H29 Cl O Si Ta, Cl'
_chemical_formula_sum            'C18 H29 Cl2 O Si Ta'
_chemical_formula_weight         541.35
_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            16
_cell_length_a                   20.0697(6)
_cell_length_b                   20.0697(6)
_cell_length_c                   25.8902(8)
_cell_measurement_temperature    110(2)
_cell_volume                     10428.4(5)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.379
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               4061629