Information card for entry 7012808

Structure parameters

• Common name: [Re2(hpp)4Cl2](PF6) 2acetone
• Formula: C34 H60 Cl2 F6 N12 O2 P Re2
• Calculated formula: C34 H60 Cl2 F6 N12 O2 P Re2
• Title of publication: A highly oxidized Re27+ species with an electron-poor bond of order 3.5
• Authors of publication: Berry, John F.; Albert Cotton, F.; Huang, Penglin; Murillo, Carlos A.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 7
• Pages of publication: 1218
• a: 17.286 ± 0.0013 Å
• b: 25.521 ± 0.0019 Å
• c: 10.112 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4461 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No