Information card for entry 4322224

Structure parameters

• Chemical name: Hexachloro-(1,3-bis(diphenylphosphino)-propane)-di- -rhenium (II, III), tetrabutylammonium salt
• Formula: C43 H62 Cl6 N P2 Re2
• Calculated formula: C43 H62 Cl6 N P2 Re2
• SMILES: [Re]1([Re](Cl)(Cl)(Cl)Cl)([P](c2ccccc2)(c2ccccc2)CCC[P]1(c1ccccc1)c1ccccc1)(Cl)Cl.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Mixed Chloride/Phosphine Complexes of the Dirhenium Core. 6. Rare or Unprecedented Isomers of [Re2Cl6(PR3)2] Stoichiometry
• Authors of publication: F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3889 - 3894
• a: 11.8986 ± 0.0004 Å
• b: 11.913 ± 0.001 Å
• c: 18.383 ± 0.002 Å
• α: 102.23 ± 0.02°
• β: 108.003 ± 0.005°
• γ: 97.38 ± 0.01°
• Cell volume: 2368.6 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections: 0.1027
• Weighted residual factors for significantly intense reflections: 0.0965
• Goodness-of-fit parameter for all reflections: 1.136
• Goodness-of-fit parameter for significantly intense reflections: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No