LMucko/crystallography-open-database huggingface dataset:
Syntheses, Structures, and Reactivity Studies of Half-Open Ruthenocenes and Their Oxodienyl Analogues
Navarro Clemente, M. Elena; Juárez Saavedra, Patricia; Cervantes Vásquez, Marisol; Paz-Sandoval, M. Angeles; Arif, Atta M.; Ernst, Richard D.; Organometallics 21 (2002) 592–605; doi:10.1021/om010735s

data_4060794
_publ_section_title
;
 Syntheses, Structures, and Reactivity Studies of Half-Open Ruthenocenes
 and Their Oxodienyl Analogues
;
_journal_coden_ASTM              ORGND7
_journal_issue                   4
_journal_name_full               Organometallics
_journal_page_first              592
_journal_page_last               605
_journal_paper_doi               10.1021/om010735s
_journal_volume                  21
_journal_year                    2002
_chemical_formula_moiety         'C34 H39 O P Ru'
_chemical_formula_sum            'C34 H39 O P Ru'
_chemical_formula_weight         595.69
_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                90.000(2)
_cell_angle_beta                 117.628(10)
_cell_angle_gamma                90.000(10)
_cell_formula_units_Z            4
_cell_length_a                   18.380(2)
_cell_length_b                   9.6947(7)
_cell_length_c                   18.467(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2915.4(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.357
_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               4060794
Syntheses, Structures, and Reactivity Studies of Half-Open Ruthenocenes and Their Oxodienyl Analogues
Navarro Clemente, M. Elena; Juárez Saavedra, Patricia; Cervantes Vásquez, Marisol; Paz-Sandoval, M. Angeles; Arif, Atta M.; Ernst, Richard D.; Organometallics 21 (2002) 592–605; doi:10.1021/om010735s

data_4060795
_publ_section_title
;
 Syntheses, Structures, and Reactivity Studies of Half-Open Ruthenocenes
 and Their Oxodienyl Analogues
;
_journal_coden_ASTM              ORGND7
_journal_issue                   4
_journal_name_full               Organometallics
_journal_page_first              592
_journal_page_last               605
_journal_paper_doi               10.1021/om010735s
_journal_volume                  21
_journal_year                    2002
_chemical_formula_moiety         'C27 H38 Cl3 Ru2'
_chemical_formula_sum            'C27 H38 Cl3 Ru2'
_chemical_formula_weight         671.06
_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                90.0000
_cell_angle_beta                 90.781(10)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   8.4583(10)
_cell_length_b                   26.5482(10)
_cell_length_c                   12.5414(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2815.9(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.583
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4060795
Rhodium and Iridium Phosphinothiolato Complexes. Synthesis and Crystal Structure of Mononuclear [M(cod)(S,P-SC2B10H10PPh2)] and Dinuclear [M2(CO)2(S,P-u- SC2B10H10PPh2)] (M= Rh or Ir) and Their Performance in Catalytic Carbonylation
; Organometallics  (2002) –; doi:10.1021/om010783c

data_4060803
_publ_section_title
;
Rhodium and Iridium Phosphinothiolato Complexes. Synthesis and Crystal Structure
of Mononuclear [M(cod)(S,P-SC2B10H10PPh2)] and Dinuclear [M2(CO)2(S,P-u-
SC2B10H10PPh2)] (M= Rh or Ir) and Their Performance in Catalytic Carbonylation
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om010783c
_journal_year                    2002
_chemical_formula_sum            'C22 H19 Fe P S'
_chemical_formula_weight         402.25
_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                 107.53(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.708(4)
_cell_length_b                   17.125(5)
_cell_length_c                   13.134(4)
_cell_measurement_temperature    193(2)
_cell_volume                     1867.5(11)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.431
_refine_ls_R_factor_obs          0.0660
_refine_ls_wR_factor_obs         0.1484
_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               4060803
Molybdenum and Tungsten Germylyne Complexes of the general formula trans-[X(dppe)~2~M≡Ge-(η^1^-Cp^*^)] (X = Cl, Br, I; dppe = Ph~2~PCH~2~CH~2~PPh~2~; Cp^*^ = C~5~Me~5~); Syntheses, Molecular Structures and Bonding Features of the Germylyne Ligand
Filippou, Alexander C.; Portius, Peter; Philippopoulos, Athanassios I.; Organometallics  (2002) –; doi:10.1021/om010785x

data_4060804
_publ_section_title
;
  Molybdenum and Tungsten Germylyne Complexes of the general formula
  trans-[X(dppe)~2~M\\tb Ge-(\h^1^-Cp^*^)] (X = Cl, Br, I; dppe =
  Ph~2~PCH~2~CH~2~PPh~2~; Cp^*^ = C~5~Me~5~); Syntheses, Molecular
  Structures and Bonding Features of the Germylyne Ligand
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om010785x
_journal_year                    2002
_chemical_formula_moiety         'C20 H30 Cl2 Ge'
_chemical_formula_sum            'C20 H30 Cl2 Ge'
_chemical_formula_weight         413.93
_chemical_name_common
;
 Bis(pentamethylcyclopentadienyl)dichlorogermane(IV)
;
_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                 112.20(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.986(3)
_cell_length_b                   8.9304(12)
_cell_length_c                   16.878(4)
_cell_measurement_temperature    183(2)
_cell_volume                     2091.4(7)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    1.315
_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               4060804
Molybdenum and Tungsten Germylyne Complexes of the general formula trans-[X(dppe)~2~M≡Ge-(η^1^-Cp^*^)] (X = Cl, Br, I; dppe = Ph~2~PCH~2~CH~2~PPh~2~; Cp^*^ = C~5~Me~5~); Syntheses, Molecular Structures and Bonding Features of the Germylyne Ligand
Filippou, Alexander C.; Portius, Peter; Philippopoulos, Athanassios I.; Organometallics  (2002) –; doi:10.1021/om010785x

data_4060805
_publ_section_title
;
  Molybdenum and Tungsten Germylyne Complexes of the general formula
  trans-[X(dppe)~2~M\\tb Ge-(\h^1^-Cp^*^)] (X = Cl, Br, I; dppe =
  Ph~2~PCH~2~CH~2~PPh~2~; Cp^*^ = C~5~Me~5~); Syntheses, Molecular
  Structures and Bonding Features of the Germylyne Ligand
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om010785x
_journal_year                    2002
_chemical_formula_moiety         'C62 H63 Ge I P4 W, C7 H8'
_chemical_formula_sum            'C69 H71 Ge I P4 W'
_chemical_formula_weight         1407.48
_chemical_melting_point          494(1)
_chemical_name_common
;
 trans-[Iodo(bis(bis(diphenylphosphino)ethane)
 (\h^1^pentamethylcyclopentadienylgermylidyne)tungsten(0)
;
_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                97.24(2)
_cell_angle_beta                 96.58(2)
_cell_angle_gamma                103.31(2)
_cell_formula_units_Z            2
_cell_length_a                   10.592(2)
_cell_length_b                   16.287(3)
_cell_length_c                   17.928(3)
_cell_measurement_temperature    180(2)
_cell_volume                     2952.8(10)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    1.583
_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               4060805
Molybdenum and Tungsten Germylyne Complexes of the general formula trans-[X(dppe)~2~M≡Ge-(η^1^-Cp^*^)] (X = Cl, Br, I; dppe = Ph~2~PCH~2~CH~2~PPh~2~; Cp^*^ = C~5~Me~5~); Syntheses, Molecular Structures and Bonding Features of the Germylyne Ligand
Filippou, Alexander C.; Portius, Peter; Philippopoulos, Athanassios I.; Organometallics  (2002) –; doi:10.1021/om010785x

data_4060806
_publ_section_title
;
  Molybdenum and Tungsten Germylyne Complexes of the general formula
  trans-[X(dppe)~2~M\\tb Ge-(\h^1^-Cp^*^)] (X = Cl, Br, I; dppe =
  Ph~2~PCH~2~CH~2~PPh~2~; Cp^*^ = C~5~Me~5~); Syntheses, Molecular
  Structures and Bonding Features of the Germylyne Ligand
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om010785x
_journal_year                    2002
_chemical_formula_moiety         'C62 H63 Br Ge P4 W, 0.5(C5 H12)'
_chemical_formula_sum            'C64.5 H69 Br Ge P4 W'
_chemical_formula_weight         1304.43
_chemical_melting_point          509(1)
_chemical_name_common
;
 trans-[Bromo(bis(bis(diphenylphosphino)ethane)(\h^1^penta
 methylcyclopentadienylgermylidyne)tungsten(0)
;
_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                 141.95(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   39.57(3)
_cell_length_b                   13.225(8)
_cell_length_c                   34.48(4)
_cell_measurement_temperature    180(2)
_cell_volume                     11121(16)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    1.558
_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_original_formula_sum        'C64.50 H69 Br Ge P4 W'
_cod_database_code               4060806
Molybdenum and Tungsten Germylyne Complexes of the general formula trans-[X(dppe)~2~M≡Ge-(η^1^-Cp^*^)] (X = Cl, Br, I; dppe = Ph~2~PCH~2~CH~2~PPh~2~; Cp^*^ = C~5~Me~5~); Syntheses, Molecular Structures and Bonding Features of the Germylyne Ligand
Filippou, Alexander C.; Portius, Peter; Philippopoulos, Athanassios I.; Organometallics  (2002) –; doi:10.1021/om010785x

data_4060807
_publ_section_title
;
  Molybdenum and Tungsten Germylyne Complexes of the general formula
  trans-[X(dppe)~2~M\\tb Ge-(\h^1^-Cp^*^)] (X = Cl, Br, I; dppe =
  Ph~2~PCH~2~CH~2~PPh~2~; Cp^*^ = C~5~Me~5~); Syntheses, Molecular
  Structures and Bonding Features of the Germylyne Ligand
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om010785x
_journal_year                    2002
_chemical_formula_moiety         'C62 H63 Br Ge Mo P4, 0.5(C5 H12)'
_chemical_formula_sum            'C64.5 H69 Br Ge Mo P4'
_chemical_formula_weight         1216.52
_chemical_melting_point          497(1)
_chemical_name_common
;
 trans-[Bromo(bis(bis(diphenylphosphino)ethane)(\h^1^penta
 methylcyclopentadienylgermylidyne)molybdenum(0)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 97.68(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.715(5)
_cell_length_b                   13.2501(19)
_cell_length_c                   34.527(7)
_cell_measurement_temperature    180(2)
_cell_volume                     11205(3)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    1.442
_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      'I 2/a'
_cod_original_formula_sum        'C64.50 H69 Br Ge Mo P4'
_cod_database_code               4060807
Molybdenum and Tungsten Germylyne Complexes of the general formula trans-[X(dppe)~2~M≡Ge-(η^1^-Cp^*^)] (X = Cl, Br, I; dppe = Ph~2~PCH~2~CH~2~PPh~2~; Cp^*^ = C~5~Me~5~); Syntheses, Molecular Structures and Bonding Features of the Germylyne Ligand
Filippou, Alexander C.; Portius, Peter; Philippopoulos, Athanassios I.; Organometallics  (2002) –; doi:10.1021/om010785x

data_4060808
_publ_section_title
;
  Molybdenum and Tungsten Germylyne Complexes of the general formula
  trans-[X(dppe)~2~M\\tb Ge-(\h^1^-Cp^*^)] (X = Cl, Br, I; dppe =
  Ph~2~PCH~2~CH~2~PPh~2~; Cp^*^ = C~5~Me~5~); Syntheses, Molecular
  Structures and Bonding Features of the Germylyne Ligand
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om010785x
_journal_year                    2002
_chemical_formula_moiety         'C62 H63 Cl Ge Mo P4, 0.5(C5 H12)'
_chemical_formula_sum            'C64.5 H69 Cl Ge Mo P4'
_chemical_formula_weight         1172.06
_chemical_melting_point          510(1)
_chemical_name_common
;
 trans-[Chloro(bis(bis(diphenylphosphino)ethane)(\h^1^penta
 methylcyclopentadienylgermylidyne)molybdenum(0)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 97.322(18)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.664(4)
_cell_length_b                   13.3460(16)
_cell_length_c                   34.453(5)
_cell_measurement_temperature    180(2)
_cell_volume                     11248(3)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    1.384
_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      'I 2/a'
_cod_original_formula_sum        'C64.50 H69 Cl Ge Mo P4'
_cod_database_code               4060808
Molybdenum and Tungsten Germylyne Complexes of the general formula trans-[X(dppe)~2~M≡Ge-(η^1^-Cp^*^)] (X = Cl, Br, I; dppe = Ph~2~PCH~2~CH~2~PPh~2~; Cp^*^ = C~5~Me~5~); Syntheses, Molecular Structures and Bonding Features of the Germylyne Ligand
Filippou, Alexander C.; Portius, Peter; Philippopoulos, Athanassios I.; Organometallics  (2002) –; doi:10.1021/om010785x

data_4060809
_publ_section_title
;
  Molybdenum and Tungsten Germylyne Complexes of the general formula
  trans-[X(dppe)~2~M\\tb Ge-(\h^1^-Cp^*^)] (X = Cl, Br, I; dppe =
  Ph~2~PCH~2~CH~2~PPh~2~; Cp^*^ = C~5~Me~5~); Syntheses, Molecular
  Structures and Bonding Features of the Germylyne Ligand
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om010785x
_journal_year                    2002
_chemical_formula_moiety         'C10 H15 Ge I3'
_chemical_formula_sum            'C10 H15 Ge I3'
_chemical_formula_weight         588.51
_chemical_name_common
;
 (\h^1^-Pentamethylcyclopentadienyl)triiodogermane
;
_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                89.35(3)
_cell_angle_beta                 82.45(3)
_cell_angle_gamma                89.67(3)
_cell_formula_units_Z            4
_cell_length_a                   8.376(2)
_cell_length_b                   13.524(4)
_cell_length_c                   13.774(3)
_cell_measurement_temperature    180(2)
_cell_volume                     1546.7(7)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    2.527
_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               4060809
Isolation and Chemistry of Tantalum (V) Compounds Containing Two Resolved 3,3'
Charles S. Weinert; Phillip E. Fanwick; Ian P. Rothwell; Organometallics  (2002) –; doi:10.1021/om0108200

data_4060812
_publ_section_title
;
Isolation and Chemistry of Tantalum (V) Compounds Containing Two Resolved 3,3'
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0108200
_journal_year                    2002
_chemical_formula_sum            'C62 H74 Cl2 N O4 Si4 Ta'
_chemical_formula_weight         1261.48
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.8407(2)
_cell_length_b                   16.1199(2)
_cell_length_c                   31.0956(6)
_cell_measurement_temperature    220
_cell_volume                     7940.3(4)
_diffrn_ambient_temperature      220
_exptl_crystal_density_diffrn    1.06
_reflns_Friedel_coverage         0.8962
_cod_original_formula_sum        'C62 H74 Cl2 N1 O4 Si4 Ta1'
_cod_database_code               4060812
; Organometallics  (2002) –; doi:10.1021/om0108200

data_4060813
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0108200
_journal_year                    2002
_chemical_formula_sum            'C40 H58 Cl2 Mg N2 O2 Si2'
_chemical_formula_weight         750.31
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.5471(2)
_cell_length_b                   14.8484(3)
_cell_length_c                   24.8848(6)
_cell_measurement_temperature    150
_cell_volume                     4266.6(3)
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.17
_reflns_Friedel_coverage         0.8692
_cod_original_sg_symbol_H-M      'p 21 21 21'
_cod_original_formula_sum        'C40 H58 Cl2 Mg1 N2 O2 Si2'
_cod_database_code               4060813
; Organometallics  (2002) –; doi:10.1021/om010853f

data_4060814
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om010853f
_journal_year                    2002
_chemical_formula_moiety         'C18 H28 Mo2 S3'
_chemical_formula_sum            'C18 H28 Mo2 S3'
_chemical_formula_weight         532.46
_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                91.874(5)
_cell_angle_beta                 102.708(4)
_cell_angle_gamma                90.914(5)
_cell_formula_units_Z            2
_cell_length_a                   7.9604(4)
_cell_length_b                   10.7934(6)
_cell_length_c                   12.1014(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1013.45(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.745
_cod_database_code               4060814
; Organometallics  (2002) –; doi:10.1021/om010856s

data_4060819
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om010856s
_journal_year                    2002
_chemical_formula_sum            'C31 H50 Li N2 O3 P'
_chemical_formula_weight         536.64
_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                 110.635(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.3421(7)
_cell_length_b                   20.8431(7)
_cell_length_c                   16.3715(5)
_cell_measurement_temperature    160(2)
_cell_volume                     6176.7(4)
_diffrn_ambient_temperature      160(2)
_exptl_crystal_density_diffrn    1.154
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4060819
; Organometallics  (2002) –; doi:10.1021/om010856s

data_4060820
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om010856s
_journal_year                    2002
_chemical_formula_sum            'C29 H46 Li N2 O2 P'
_chemical_formula_weight         492.59
_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                 93.069(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.0322(9)
_cell_length_b                   9.3310(5)
_cell_length_c                   18.4701(9)
_cell_measurement_temperature    160(2)
_cell_volume                     2931.2(3)
_diffrn_ambient_temperature      160(2)
_exptl_crystal_density_diffrn    1.116
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4060820