LMucko/crystallography-open-database huggingface dataset:
Dihydridoamine and Hydridoamido Complexes of Ruthenium(II) with a Tetradentate P–N–N–P Donor Ligand
Li, Tianshu; Churlaud, Raphaël; Lough, Alan J.; Abdur-Rashid, Kamaluddin; Morris, Robert H.; Organometallics 23 (2004) 6239–6247; doi:10.1021/om049565k

data_4061311
_publ_section_title
;
 Dihydridoamine and Hydridoamido Complexes of Ruthenium(II) with a Tetradentate
 P--N--N--P Donor Ligand
;
_journal_coden_ASTM              ORGND7
_journal_issue                   26
_journal_name_full               Organometallics
_journal_page_first              6239
_journal_page_last               6247
_journal_paper_doi               10.1021/om049565k
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         'C44 H48 N2 P2 Ru'
_chemical_formula_sum            'C44 H48 N2 P2 Ru'
_chemical_formula_weight         767.85
_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                75.7720(8)
_cell_angle_beta                 80.7890(8)
_cell_angle_gamma                75.8090(6)
_cell_formula_units_Z            2
_cell_length_a                   11.2950(2)
_cell_length_b                   12.0470(2)
_cell_length_c                   14.9080(2)
_cell_measurement_temperature    150(1)
_cell_volume                     1895.53(5)
_diffrn_ambient_temperature      150(1)
_exptl_crystal_density_diffrn    1.345
_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               4061311
Dihydridoamine and Hydridoamido Complexes of Ruthenium(II) with a Tetradentate P‒N‒N‒P Donor Ligand
Li, Tianshu; Churlaud, Raphaël; Lough, Alan J.; Abdur-Rashid, Kamaluddin; Morris, Robert H.; Organometallics 23 (2004) 6239–6247; doi:10.1021/om049565k

data_4061312
_publ_section_title
;
 Dihydridoamine and Hydridoamido Complexes of Ruthenium(II) with a Tetradentate
 P--N--N--P Donor Ligand
;
_journal_coden_ASTM              ORGND7
_journal_issue                   26
_journal_name_full               Organometallics
_journal_page_first              6239
_journal_page_last               6247
_journal_paper_doi               10.1021/om049565k
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         'C44 H43 Cl N2 P2 Ru'
_chemical_formula_sum            'C44 H43 Cl N2 P2 Ru'
_chemical_formula_weight         798.26
_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                 94.7180(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.3980(5)
_cell_length_b                   9.0700(2)
_cell_length_c                   35.6100(13)
_cell_measurement_temperature    150(1)
_cell_volume                     3668.9(2)
_diffrn_ambient_temperature      150(1)
_exptl_crystal_density_diffrn    1.445
_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               4061312
; Organometallics  (2004) –; doi:10.1021/om049650s

data_4061313
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049650s
_journal_year                    2004
_chemical_formula_moiety         'C27 H28 Fe Ge'
_chemical_formula_sum            'C27 H28 Fe Ge'
_chemical_formula_weight         480.93
_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                88.313(6)
_cell_angle_beta                 79.831(7)
_cell_angle_gamma                72.316(7)
_cell_formula_units_Z            2
_cell_length_a                   7.7235(9)
_cell_length_b                   11.7744(16)
_cell_length_c                   12.8300(18)
_cell_measurement_temperature    150(1)
_cell_volume                     1093.8(2)
_diffrn_ambient_temperature      150(1)
_exptl_crystal_density_diffrn    1.460
_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               4061313
; Organometallics  (2004) –; doi:10.1021/om049650s

data_4061314
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049650s
_journal_year                    2004
_chemical_formula_moiety         'C17 H24 Fe Ge'
_chemical_formula_sum            'C17 H24 Fe Ge'
_chemical_formula_weight         356.80
_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                74.826(4)
_cell_angle_beta                 89.732(4)
_cell_angle_gamma                66.607(4)
_cell_formula_units_Z            2
_cell_length_a                   7.3330(4)
_cell_length_b                   8.5260(5)
_cell_length_c                   14.2880(10)
_cell_measurement_temperature    150(1)
_cell_volume                     786.31(8)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.507
_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               4061314
; Organometallics  (2004) –; doi:10.1021/om049650s

data_4061315
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049650s
_journal_year                    2004
_chemical_formula_moiety         'C23 H36 Fe Sn'
_chemical_formula_sum            'C23 H36 Fe Sn'
_chemical_formula_weight         487.06
_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                 100.666(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.138(3)
_cell_length_b                   11.4142(8)
_cell_length_c                   16.3104(14)
_cell_measurement_temperature    173(2)
_cell_volume                     2220.6(6)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.457
_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               4061315
; Organometallics  (2004) –; doi:10.1021/om049650s

data_4061316
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049650s
_journal_year                    2004
_chemical_formula_moiety         'C33 H40 Fe Sn'
_chemical_formula_sum            'C33 H40 Fe Sn'
_chemical_formula_weight         611.19
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.573(15)
_cell_angle_beta                 91.389(14)
_cell_angle_gamma                101.775(15)
_cell_formula_units_Z            2
_cell_length_a                   7.9662(2)
_cell_length_b                   12.5838(2)
_cell_length_c                   14.0272(4)
_cell_measurement_temperature    100(1)
_cell_volume                     1372.91(6)
_diffrn_ambient_temperature      100(1)
_exptl_crystal_density_diffrn    1.478
_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               4061316
; Organometallics  (2004) –; doi:10.1021/om049650s

data_4061317
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049650s
_journal_year                    2004
_chemical_formula_moiety         'C17 H24 Fe Sn'
_chemical_formula_sum            'C17 H24 Fe Sn'
_chemical_formula_weight         402.90
_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                 97.815(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.0434(4)
_cell_length_b                   13.9146(5)
_cell_length_c                   13.0246(6)
_cell_measurement_temperature    150(1)
_cell_volume                     1623.73(12)
_diffrn_ambient_temperature      150(1)
_exptl_crystal_density_diffrn    1.648
_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               4061317
; Organometallics  (2004) –; doi:10.1021/om049650s

data_4061318
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049650s
_journal_year                    2004
_chemical_formula_moiety         'C23 H37 Cl Fe Sn'
_chemical_formula_sum            'C23 H37 Cl Fe Sn'
_chemical_formula_weight         523.52
_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                66.703(3)
_cell_angle_beta                 75.478(3)
_cell_angle_gamma                69.329(2)
_cell_formula_units_Z            2
_cell_length_a                   9.9871(6)
_cell_length_b                   11.5504(7)
_cell_length_c                   12.4486(5)
_cell_measurement_temperature    100(1)
_cell_volume                     1223.65(12)
_diffrn_ambient_temperature      100(1)
_exptl_crystal_density_diffrn    1.421
_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               4061318
; Organometallics  (2004) –; doi:10.1021/om049650s

data_4061319
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049650s
_journal_year                    2004
_chemical_formula_moiety         'C24 H37 F3 Fe O3 S Sn'
_chemical_formula_sum            'C24 H37 F3 Fe O3 S Sn'
_chemical_formula_weight         637.14
_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                 96.483(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.1561(3)
_cell_length_b                   13.8154(5)
_cell_length_c                   21.3416(6)
_cell_measurement_temperature    100(1)
_cell_volume                     2682.35(15)
_diffrn_ambient_temperature      100(1)
_exptl_crystal_density_diffrn    1.578
_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               4061319
Insertion of CO and Alkenes into the (methyl)Pd Complexes of the Bidentate Porphyrin Ligand
Setsune, Jun-ichiro; Yamauchi, Takashi; Tanikawa, Sachiko; Hirose, Yuka; Watanabe, Jun-ya; Organometallics 23 (2004) 6058–6065; doi:10.1021/om049783d

data_4061320
_publ_section_title
;
 Insertion of CO and Alkenes into the (methyl)Pd Complexes of the
 Bidentate Porphyrin Ligand
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              6058
_journal_page_last               6065
_journal_paper_doi               10.1021/om049783d
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C61 H45 Cl3 N4 O2 Pd'
_chemical_formula_weight         1078.76
_chemical_name_common            (por)PdAcCl
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 103.482(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.8443(10)
_cell_length_b                   18.6502(15)
_cell_length_c                   24.072(2)
_cell_measurement_temperature    293(2)
_cell_volume                     5170.9(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.386
_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               4061320
Insertion of CO and Alkenes into the (methyl)Pd Complexes of the Bidentate Porphyrin Ligand
Setsune, Jun-ichiro; Yamauchi, Takashi; Tanikawa, Sachiko; Hirose, Yuka; Watanabe, Jun-ya; Organometallics 23 (2004) 6058–6065; doi:10.1021/om049783d

data_4061321
_publ_section_title
;
 Insertion of CO and Alkenes into the (methyl)Pd Complexes of the
 Bidentate Porphyrin Ligand
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              6058
_journal_page_last               6065
_journal_paper_doi               10.1021/om049783d
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C64 H49.5 Cl N4 O6 Pd'
_chemical_formula_weight         1112.43
_chemical_name_common            (por)PdMeCOClO4
_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                107.800(2)
_cell_angle_beta                 98.264(2)
_cell_angle_gamma                90.747(2)
_cell_formula_units_Z            2
_cell_length_a                   12.1606(13)
_cell_length_b                   13.6413(15)
_cell_length_c                   16.8606(18)
_cell_measurement_temperature    135(2)
_cell_volume                     2630.6(5)
_diffrn_ambient_temperature      135(2)
_exptl_crystal_density_diffrn    1.404
_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_sg_symbol_H-M      'P -1-'
_cod_original_formula_sum        'C64 H49.50 Cl N4 O6 Pd'
_cod_database_code               4061321
Metal‒Metal Communication through Carborane Cages Supporting Electroactive [η5-CpFe(CO)2] Substituents
Wedge, Timothy J.; Herzog, Axel; Huertas, Ramon; Lee, Mark W.; Knobler, Carolyn B.; Hawthorne, M. Frederick; Organometallics 23 (2004) 482–489; doi:10.1021/om030514h

data_4061322
_publ_section_title
;
 Metal--Metal Communication through Carborane Cages Supporting
 Electroactive [\h5-CpFe(CO)2] Substituents
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              482
_journal_page_last               489
_journal_paper_doi               10.1021/om030514h
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         'C5H5 CO P(C6H5)3 C2B10H10 Fe'
_chemical_formula_sum            'C26 H30 B10 Fe O P'
_chemical_formula_weight         553.92
_chemical_name_common
;
 eta-5-CpFe(CO)[P(C6H5)3] substituted para-carborane
;
_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                 97.471(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.263(8)
_cell_length_b                   18.676(15)
_cell_length_c                   14.737(12)
_cell_measurement_temperature    293(2)
_cell_volume                     2801(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.314
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4061322
Metal‒Metal Communication through Carborane Cages Supporting Electroactive [η5-CpFe(CO)2] Substituents
Wedge, Timothy J.; Herzog, Axel; Huertas, Ramon; Lee, Mark W.; Knobler, Carolyn B.; Hawthorne, M. Frederick; Organometallics 23 (2004) 482–489; doi:10.1021/om030514h

data_4061323
_publ_section_title
;
 Metal--Metal Communication through Carborane Cages Supporting
 Electroactive [\h5-CpFe(CO)2] Substituents
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              482
_journal_page_last               489
_journal_paper_doi               10.1021/om030514h
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         '[C5H5 (CO)2 Fe]2 C2B10H10'
_chemical_formula_sum            'C16 H20 B10 Fe2 O4'
_chemical_formula_weight         496.12
_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                90.00
_cell_angle_beta                 92.320(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.1515(19)
_cell_length_b                   11.133(3)
_cell_length_c                   12.275(3)
_cell_measurement_temperature    298(2)
_cell_volume                     1113.0(4)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.480
_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               4061323
Metal‒Metal Communication through Carborane Cages Supporting Electroactive [η5-CpFe(CO)2] Substituents
Wedge, Timothy J.; Herzog, Axel; Huertas, Ramon; Lee, Mark W.; Knobler, Carolyn B.; Hawthorne, M. Frederick; Organometallics 23 (2004) 482–489; doi:10.1021/om030514h

data_4061324
_publ_section_title
;
 Metal--Metal Communication through Carborane Cages Supporting
 Electroactive [\h5-CpFe(CO)2] Substituents
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              482
_journal_page_last               489
_journal_paper_doi               10.1021/om030514h
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         '[C5H5 (CO)2 Fe]2 C2B10H10'
_chemical_formula_sum            'C16 H18 B8 Fe2 O4'
_chemical_formula_weight         472.48
_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                 110.727(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.781(2)
_cell_length_b                   12.539(2)
_cell_length_c                   13.112(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2119.0(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.481
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061324
; Organometallics  (2004) –; doi:10.1021/om030543s

data_4061325
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om030543s
_journal_year                    2004
_chemical_formula_moiety         'C25 H34 N2 Si Ti'
_chemical_formula_sum            'C25 H34 N2 Si Ti'
_chemical_formula_weight         438.53
_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                79.000(10)
_cell_angle_beta                 69.610(10)
_cell_angle_gamma                72.210(10)
_cell_formula_units_Z            2
_cell_length_a                   10.742(6)
_cell_length_b                   10.964(6)
_cell_length_c                   11.486(6)
_cell_measurement_temperature    295(2)
_cell_volume                     1202.0(11)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.212
_cod_database_code               4061325