Information card for entry 7027325

Structure parameters

• Chemical name: Bis(tricyclohexylphosphine)carbonyldinitrosylrhenium(-I) Tetrakis(3,5-bis(trifluoromethyl)phenyl)borate
• Formula: C69.5 H79 B Cl F24 N2 O3 P2 Re
• Calculated formula: C69.5 H79 B Cl F24 N2 O3 P2 Re
• Title of publication: Co-ordination chemistry of the [Re(NO)2(PR3)2]+ fragment: crystallographic and computational studies †
• Authors of publication: Jacobsen, Heiko; Heinze, Katja; Llamazares, Angela; Schmalle, Helmut W.; Artus, Georg; Berke, Heinz
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 11
• Pages of publication: 1717
• a: 12.9909 ± 0.0012 Å
• b: 16.67 ± 0.0016 Å
• c: 19.0701 ± 0.0019 Å
• α: 79.633 ± 0.012°
• β: 71.952 ± 0.011°
• γ: 79.44 ± 0.011°
• Cell volume: 3826.4 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.1977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.388
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No