Information card for entry 7049832

Structure parameters

• Formula: C66 H66 Cl2 F6 P6 Ru Si
• Calculated formula: C66 H66 Cl2 F6 P6 Ru Si
• Title of publication: Cyaphide-alkynyl complexes: metal-ligand conjugation and the influence of remote substituents.
• Authors of publication: Furfari, Samantha K.; Leech, Matthew C.; Trathen, Nicola; Levis, Madeleine C.; Crossley, Ian R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 23
• Pages of publication: 8131 - 8143
• a: 13.5338 ± 0.0004 Å
• b: 16.2852 ± 0.0004 Å
• c: 28.7574 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6338.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No