Information card for entry 4322220

Structure parameters

• Chemical name: Tetrachloro-bis(1,3-bis(diphenylphosphino)-propane- -di-rhenium (II, II), dichloromethane solvate
• Formula: C58 H60 Cl12 P4 Re2
• Calculated formula: C58 H60 Cl12 P4 Re2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)[Re](Cl)([P](c2ccccc2)(CCC1)c1ccccc1)(Cl)[Re]1([P](c2ccccc2)(c2ccccc2)CCC[P]1(c1ccccc1)c1ccccc1)(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• 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: 11.83 ± 0.003 Å
• b: 12.134 ± 0.002 Å
• c: 12.356 ± 0.002 Å
• α: 83.41 ± 0.01°
• β: 74.8 ± 0.02°
• γ: 63.02 ± 0.02°
• Cell volume: 1525.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for all reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.0599
• Goodness-of-fit parameter for all reflections: 1.12
• Goodness-of-fit parameter for significantly intense reflections: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No