Information card for entry 7027327

Structure parameters

• Formula: C68 H97 B F24 N4 O4 P4
• Calculated formula: C68 H97 B F24 N4 O4 P4 Re2
• 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: 14.256 ± 0.002 Å
• b: 16.859 ± 0.002 Å
• c: 17.771 ± 0.002 Å
• α: 97.22 ± 0.01°
• β: 93.87 ± 0.01°
• γ: 96.11 ± 0.01°
• Cell volume: 4199 ± 0.9 ų
• Cell temperature: 183 ± 5 K
• Ambient diffraction temperature: 183 ± 5 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.1104
• Weighted residual factors for significantly intense reflections: 0.0813
• Goodness-of-fit parameter for significantly intense reflections: 1.1395
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No