Information card for entry 7010031

Structure parameters

• Formula: C86.5 H71 Cl Fe2 O1.5 P4 Ru
• Calculated formula: C86.5 H71 Cl Fe2 O1.5 P4 Ru
• Title of publication: Synthesis and characterisation of unsymmetrical metal (RuII, OsII) and ferrocenyl complexes of 1,3,5-triethynylbenzene
• Authors of publication: Long, Nicholas J.; Martin, Angela J.; White, Andrew J. P.; Williams, David J.; Fontani, Marco; Laschi, Franco; Zanello, Piero
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 19
• Pages of publication: 3387
• a: 33.377 ± 0.004 Å
• b: 10.2787 ± 0.001 Å
• c: 22.969 ± 0.003 Å
• α: 90°
• β: 109.633 ± 0.008°
• γ: 90°
• Cell volume: 7421.9 ± 1.5 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1655
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections: 0.3165
• Weighted residual factors for significantly intense reflections: 0.2455
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 1.159
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No