Information card for entry 4348161

Structure parameters

• Formula: C12 H36 Br4 P4 Re2
• Calculated formula: C12 H36 Br4 P4 Re2
• SMILES: C[P](C)(C)[Re](Br)([Re]([P](C)(C)C)(Br)([P](C)(C)C)Br)([P](C)(C)C)Br
• Title of publication: Molecular and Electronic Structure of Re2Br4(PMe3)4.
• Authors of publication: Johnstone, Erik V.; Poineau, Frederic; Todorova, Tanya K.; Forster, Paul M.; Sørensen, Lasse K; Fdez Galván, Ignacio; Lindh, Roland; Czerwinski, Kenneth R.; Sattelberger, Alfred P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 14
• Pages of publication: 7111 - 7116
• a: 18.0461 ± 0.0013 Å
• b: 9.3406 ± 0.0007 Å
• c: 17.1624 ± 0.0012 Å
• α: 90°
• β: 115.156 ± 0.001°
• γ: 90°
• Cell volume: 2618.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No