Information card for entry 7027324

Structure parameters

• Formula: C73 H86 B F24 N2 O2.5 P2 Re
• Calculated formula: C73 H86 B F24 N2 O2.5 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: 13.423 ± 0.0014 Å
• b: 17.641 ± 0.002 Å
• c: 17.946 ± 0.002 Å
• α: 101.79 ± 0.013°
• β: 109.224 ± 0.012°
• γ: 92.608 ± 0.013°
• Cell volume: 3898.6 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1017
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1747
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No