Information card for entry 7049835

Structure parameters

• Formula: C78 H72 O2 P5 Ru
• Calculated formula: C78 H72 O2 P5 Ru
• 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: 10.3386 ± 0.0005 Å
• b: 13.4556 ± 0.0008 Å
• c: 26.1086 ± 0.0013 Å
• α: 82.979 ± 0.004°
• β: 81.078 ± 0.004°
• γ: 67.587 ± 0.005°
• Cell volume: 3309.1 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No