LMucko/crystallography-open-database huggingface dataset:
Phosphine-Induced Ancillary Ligand Orthometalation at a Tantalum-Tantalum Double Bond
Shaver, Michael P.; Fryzuk, Michael D.; Organometallics 24 (2005) 2606–2611; doi:10.1021/om050045e

data_4060508
_publ_section_title
;
Phosphine-Induced Ancillary Ligand Orthometalation at a Tantalum-Tantalum 
Double Bond
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2606
_journal_page_last               2611
_journal_paper_doi               10.1021/om050045e
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C43.2 H57.6 N3.2 P2.4 Si3.2 Ta1.6'
_chemical_formula_sum            'C43.2 H57.6 N3.2 P2.4 Si3.2 Ta1.6'
_chemical_formula_weight         1075.48
_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                 84.011(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            5
_cell_length_a                   11.1558(8)
_cell_length_b                   23.4870(16)
_cell_length_c                   22.5891(17)
_cell_measurement_temperature    173(2)
_cell_volume                     5886.4(7)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.517
_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               4060508
Reactions of Diamidonaphthalene-Bridged Diiridium Tetrahydride with Alkynes: Hydrogenation, Vinylidene Formation, and Catalytic C-C Coupling
Jimenez,M.V.; Lahoz, F.J.; Oro,L.A.; Sola.E; Organometallics  (2005) –; doi:10.1021/om050050i

data_4060514
_publ_section_title
;
Reactions of Diamidonaphthalene-Bridged Diiridium Tetrahydride
  with Alkynes: Hydrogenation, Vinylidene Formation, and Catalytic
  C-C Coupling
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050050i
_journal_year                    2005
_chemical_formula_sum            'C21 H33 B N7 O2 P S W'
_chemical_formula_weight         673.23
_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                 99.7490(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.4285(7)
_cell_length_b                   12.7683(8)
_cell_length_c                   19.6515(12)
_cell_measurement_temperature    153(2)
_cell_volume                     2578.9(3)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.734
_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               4060514
; Organometallics  (2005) –; doi:10.1021/om0500523

data_4060515
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0500523
_journal_year                    2005
_chemical_formula_moiety         'C48 H52 F6 N O2 P3 Ru '
_chemical_formula_sum            'C48 H52 F6 N O2 P3 Ru'
_chemical_formula_weight         982.93
_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                 93.53(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.739(6)
_cell_length_b                   18.886(6)
_cell_length_c                   17.871(5)
_cell_measurement_temperature    223.1
_cell_volume                     4628(2)
_exptl_crystal_density_diffrn    1.411
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C48 H52 F6 N O2 P3 Ru '
_cod_database_code               4060515
; Organometallics  (2005) –; doi:10.1021/om0500523

data_4060516
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0500523
_journal_year                    2005
_chemical_formula_moiety         'C48.50 H42.50 Cl1.50 O2 P2 Ru '
_chemical_formula_sum            'C48.5 H42.5 Cl1.5 O2 P2 Ru'
_chemical_formula_weight         873.57
_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                98.03(6)
_cell_angle_beta                 104.57(5)
_cell_angle_gamma                72.12(4)
_cell_formula_units_Z            2
_cell_length_a                   12.584(6)
_cell_length_b                   19.703(9)
_cell_length_c                   9.045(7)
_cell_measurement_temperature    223.1
_cell_volume                     2060(2)
_exptl_crystal_density_diffrn    1.408
_cod_original_formula_sum        'C48.50 H42.50 Cl1.50 O2 P2 Ru '
_cod_database_code               4060516
; Organometallics  (2005) –; doi:10.1021/om0500523

data_4060517
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0500523
_journal_year                    2005
_chemical_formula_moiety         'C52 H50 Cl2 O2 P2 Ru '
_chemical_formula_sum            'C52 H50 Cl2 O2 P2 Ru'
_chemical_formula_weight         940.89
_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                 101.92(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.875(2)
_cell_length_b                   21.578(2)
_cell_length_c                   21.305(2)
_cell_measurement_temperature    203.1
_cell_volume                     4441(1)
_exptl_crystal_density_diffrn    1.407
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C52 H50 Cl2 O2 P2 Ru '
_cod_database_code               4060517
Novel Iridium Complexes Containing 2,6-Bis(oxazoline)pyridine Ligands: Synthesis and Reactivity of the Diolefin Iridium(I) Complex [Ir(η^2^-C~2~H~4~)2{κ^3^N,N,N-(S,S)-i-Pr-pybox}][PF~6~] ((S,S)-i-Pr-pybox = 2,6-Bis(4'-(S)-isopropyloxazolin-2'-yl)pyridine)
Díez, Josefina; Gamasa, M. Pilar; Gimeno, José; Paredes, Paloma; Organometallics 24 (2005) 1799–1802; doi:10.1021/om050073x

data_4060532
_publ_section_title
;
Novel Iridium Complexes Containing 2,6-Bis(oxazoline)pyridine Ligands: 
Synthesis and Reactivity of the Diolefin Iridium(I) Complex 
[Ir(\h^2^-C~2~H~4~)2{\k^3^N,N,N-(S,S)-i-Pr-pybox}][PF~6~] 
((S,S)-i-Pr-pybox = 2,6-Bis(4'-(S)-isopropyloxazolin-2'-yl)pyridine)
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1799
_journal_page_last               1802
_journal_paper_doi               10.1021/om050073x
_journal_volume                  24
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C21 H31 Ir1 N3, P1 F6'
_chemical_formula_sum            'C21 H31 F6 Ir N3 O2 P'
_chemical_formula_weight         694.66
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.3775(7)
_cell_length_b                   8.4994(3)
_cell_length_c                   9.2423(5)
_cell_measurement_temperature    150(2)
_cell_volume                     1207.96(10)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.910
_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_database_code               4060532
Novel Iridium Complexes Containing 2,6-Bis(oxazoline)pyridine Ligands: Synthesis and Reactivity of the Diolefin Iridium(I) Complex [Ir(η^2^-C~2~H~4~)2{κ^3^N,N,N-(S,S)-i-Pr-pybox}][PF~6~] ((S,S)-i-Pr-pybox = 2,6-Bis(4'-(S)-isopropyloxazolin-2'-yl)pyridine)
Díez, Josefina; Gamasa, M. Pilar; Gimeno, José; Paredes, Paloma; Organometallics 24 (2005) 1799–1802; doi:10.1021/om050073x

data_4060533
_publ_section_title
;
Novel Iridium Complexes Containing 2,6-Bis(oxazoline)pyridine Ligands: 
Synthesis and Reactivity of the Diolefin Iridium(I) Complex 
[Ir(\h^2^-C~2~H~4~)2{\k^3^N,N,N-(S,S)-i-Pr-pybox}][PF~6~] 
((S,S)-i-Pr-pybox = 2,6-Bis(4'-(S)-isopropyloxazolin-2'-yl)pyridine)
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1799
_journal_page_last               1802
_journal_paper_doi               10.1021/om050073x
_journal_volume                  24
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C20 H28 Cl F6 Ir N3 O2 P'
_chemical_formula_sum            'C20 H28 Cl F6 Ir N3 O2 P'
_chemical_formula_weight         715.07
_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                 91.441(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.2524(5)
_cell_length_b                   16.0006(10)
_cell_length_c                   9.4409(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1246.21(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.906
_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'
_cod_database_code               4060533
Iridium Complexes with N-Allyl-Substituted Benzimidazol-2-ylidene Ligands and Their Application in Catalytic Transfer Hydrogenation
Hahn, F. Ekkehardt; Holtgrewe, Christian; Pape, Tania; Martin, Marta; Sola, Eduardo; Oro, Luis A.; Organometallics 24 (2005) 2203–2209; doi:10.1021/om0500873

data_4060534
_publ_section_title
;
 Iridium Complexes with N-Allyl-Substituted Benzimidazol-2-ylidene
 Ligands and Their Application in Catalytic Transfer Hydrogenation
;
_journal_coden_ASTM              ORGND7
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2203
_journal_page_last               2209
_journal_paper_doi               10.1021/om0500873
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C21 H26 Br Ir N2'
_chemical_formula_sum            'C21 H26 Br Ir N2'
_chemical_formula_weight         578.55
_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                64.4420(10)
_cell_angle_beta                 75.631(2)
_cell_angle_gamma                88.124(2)
_cell_formula_units_Z            2
_cell_length_a                   8.6482(8)
_cell_length_b                   10.7943(10)
_cell_length_c                   11.8122(11)
_cell_measurement_temperature    100(2)
_cell_volume                     960.17(15)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    2.001
_cod_database_code               4060534
Iridium Complexes with N-Allyl-Substituted Benzimidazol-2-ylidene Ligands and Their Application in Catalytic Transfer Hydrogenation
Hahn, F. Ekkehardt; Holtgrewe, Christian; Pape, Tania; Martin, Marta; Sola, Eduardo; Oro, Luis A.; Organometallics 24 (2005) 2203–2209; doi:10.1021/om0500873

data_4060535
_publ_section_title
;
 Iridium Complexes with N-Allyl-Substituted Benzimidazol-2-ylidene
 Ligands and Their Application in Catalytic Transfer Hydrogenation
;
_journal_coden_ASTM              ORGND7
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2203
_journal_page_last               2209
_journal_paper_doi               10.1021/om0500873
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C21 H26  Ir N2, B F4, 2(C H Cl3)'
_chemical_formula_sum            'C23 H28 B Cl6 F4 Ir N2'
_chemical_formula_weight         824.18
_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                 97.5890(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   29.6219(12)
_cell_length_b                   10.7321(4)
_cell_length_c                   17.8342(7)
_cell_measurement_temperature    100(2)
_cell_volume                     5619.9(4)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.948
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4060535
Iridium Complexes with N-Allyl-Substituted Benzimidazol-2-ylidene Ligands and Their Application in Catalytic Transfer Hydrogenation
Hahn, F. Ekkehardt; Holtgrewe, Christian; Pape, Tania; Martin, Marta; Sola, Eduardo; Oro, Luis A.; Organometallics 24 (2005) 2203–2209; doi:10.1021/om0500873

data_4060536
_publ_section_title
;
 Iridium Complexes with N-Allyl-Substituted Benzimidazol-2-ylidene
 Ligands and Their Application in Catalytic Transfer Hydrogenation
;
_journal_coden_ASTM              ORGND7
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2203
_journal_page_last               2209
_journal_paper_doi               10.1021/om0500873
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C28 H34 Br Ir N2'
_chemical_formula_weight         670.68
_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                 98.403(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   34.958(3)
_cell_length_b                   7.5715(6)
_cell_length_c                   17.7650(14)
_cell_measurement_temperature    173(2)
_cell_volume                     4651.6(6)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.915
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4060536
; Organometallics  (2005) –; doi:10.1021/om050103w

data_4060537
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050103w
_journal_year                    2005
_chemical_formula_moiety         'C47 H71 N O6 W'
_chemical_formula_sum            'C47 H71 N O6 W'
_chemical_formula_weight         929.90
_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                 97.9050(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.5201(3)
_cell_length_b                   19.9157(3)
_cell_length_c                   21.8690(6)
_cell_measurement_temperature    173(2)
_cell_volume                     4538.35(19)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.361
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4060537
; Organometallics  (2005) –; doi:10.1021/om050103w

data_4060538
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050103w
_journal_year                    2005
_chemical_formula_moiety         'C28 H33 N O4 W'
_chemical_formula_sum            'C28 H33 N O4 W'
_chemical_formula_weight         631.40
_space_group_IT_number           61
_space_group_name_Hall           '-P 2bc 2ac'
_space_group_name_H-M_alt        'P c a b'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2bc 2ac'
_symmetry_space_group_name_H-M   'P c a b'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.2251(4)
_cell_length_b                   16.5889(3)
_cell_length_c                   18.8273(4)
_cell_measurement_temperature    173(2)
_cell_volume                     5067.49(19)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.655
_cod_database_code               4060538
; Organometallics  (2005) –; doi:10.1021/om050103w

data_4060539
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050103w
_journal_year                    2005
_chemical_formula_moiety         'C55 H79 N O4 W, 0.2(C2 H3 N)'
_chemical_formula_sum            'C55.4 H79.6 N1.2 O4 W'
_chemical_formula_weight         1010.25
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 103.4180(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.6104(3)
_cell_length_b                   26.2334(7)
_cell_length_c                   16.4217(2)
_cell_measurement_temperature    173(2)
_cell_volume                     5284.2(2)
_exptl_crystal_density_diffrn    1.270
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C55.40 H79.60 N1.20 O4 W'
_cod_database_code               4060539
An Intramolecularly Base-Stabilized Diphosphagermylene and Two Unusual Germanium(II) Ate Complexes: A Structural, NMR, and DFT Study
Izod, Keith; McFarlane, William; Allen, Ben; Clegg, William; Harrington, Ross W.; Organometallics 24 (2005) 2157–2167; doi:10.1021/om0501125

data_4060540
_publ_section_title
;
 An Intramolecularly Base-Stabilized Diphosphagermylene and Two Unusual
 Germanium(II) Ate Complexes: A Structural, NMR, and DFT Study
;
_journal_coden_ASTM              ORGND7
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2157
_journal_page_last               2167
_journal_paper_doi               10.1021/om0501125
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C32 H62 Ge N2 P2 Si4, 0.5 C7 H14'
_chemical_formula_sum            'C35.5 H69 Ge N2 P2 Si4'
_chemical_formula_weight         770.82
_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                78.569(1)
_cell_angle_beta                 89.576(1)
_cell_angle_gamma                75.536(1)
_cell_formula_units_Z            2
_cell_length_a                   11.4596(5)
_cell_length_b                   12.0029(5)
_cell_length_c                   16.3524(7)
_cell_measurement_temperature    150(2)
_cell_volume                     2132.65(16)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.200
_cod_duplicate_entry             1100899
_cod_database_code               4060540
An Intramolecularly Base-Stabilized Diphosphagermylene and Two Unusual Germanium(II) Ate Complexes: A Structural, NMR, and DFT Study
Izod, Keith; McFarlane, William; Allen, Ben; Clegg, William; Harrington, Ross W.; Organometallics 24 (2005) 2157–2167; doi:10.1021/om0501125

data_4060541
_publ_section_title
;
 An Intramolecularly Base-Stabilized Diphosphagermylene and Two Unusual
 Germanium(II) Ate Complexes: A Structural, NMR, and DFT Study
;
_journal_coden_ASTM              ORGND7
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2157
_journal_page_last               2167
_journal_paper_doi               10.1021/om0501125
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C44 H92 Ge I2 Li2 N2 O3 P2 Si4'
_chemical_formula_sum            'C44 H92 Ge I2 Li2 N2 O3 P2 Si4'
_chemical_formula_weight         1211.77
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   48.748(3)
_cell_length_b                   11.2312(6)
_cell_length_c                   11.1410(6)
_cell_measurement_temperature    160(2)
_cell_volume                     6099.7(6)
_diffrn_ambient_temperature      160(2)
_exptl_crystal_density_diffrn    1.320
_cod_duplicate_entry             1100900
_cod_database_code               4060541
An Intramolecularly Base-Stabilized Diphosphagermylene and Two Unusual Germanium(II) Ate Complexes: A Structural, NMR, and DFT Study
Izod, Keith; McFarlane, William; Allen, Ben; Clegg, William; Harrington, Ross W.; Organometallics 24 (2005) 2157–2167; doi:10.1021/om0501125

data_4060542
_publ_section_title
;
 An Intramolecularly Base-Stabilized Diphosphagermylene and Two Unusual
 Germanium(II) Ate Complexes: A Structural, NMR, and DFT Study
;
_journal_coden_ASTM              ORGND7
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2157
_journal_page_last               2167
_journal_paper_doi               10.1021/om0501125
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C48 H93 Ge K N3 P3 Si6'
_chemical_formula_sum            'C48 H93 Ge K N3 P3 Si6'
_chemical_formula_weight         1085.39
_space_group_IT_number           205
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.4873(5)
_cell_length_b                   23.4873(5)
_cell_length_c                   23.4873(5)
_cell_measurement_temperature    150(2)
_cell_volume                     12956.8(5)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.113
_cod_duplicate_entry             1100901
_cod_database_code               4060542