Information card for entry 7051273

Structure parameters

• Formula: C36 H90 P4 Ru2
• Calculated formula: C36 H90 P4 Ru2
• SMILES: [RuH2]123([RuH]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)([H]1)([H]2)[H]3)([P](C(C)C)(C(C)C)C(C)C)[P](C(C)C)(C(C)C)C(C)C
• Title of publication: Synthesis, structure and polymerization behaviour of borane adducts of a phosphorus-bridged [1]ferrocenophane, [(η-C5H4)2FePPh]
• Authors of publication: Evans, Chris E. B.; Lough, Alan J.; Grondey, Hiltrud; Manners, Ian
• Journal of publication: New Journal of Chemistry
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 447
• a: 21.7419 ± 0.0003 Å
• b: 16.3501 ± 0.0004 Å
• c: 24.7136 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8785.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No