Information card for entry 7035592

Structure parameters

• Formula: C40 H46 Cl6 F6 N P3 Ru
• Calculated formula: C40 H46 Cl6 F6 N P3 Ru
• Title of publication: Syntheses, structural characterisation and electronic structures of some simple acyclic amino carbene complexes.
• Authors of publication: Eaves, Samantha G.; Yufit, Dmitry S.; Skelton, Brian W.; Howard, Judith A. K.; Low, Paul J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 32
• Pages of publication: 14341 - 14348
• a: 10.9534 ± 0.0006 Å
• b: 13.4096 ± 0.0008 Å
• c: 15.8099 ± 0.0009 Å
• α: 83.871 ± 0.001°
• β: 76.3 ± 0.001°
• γ: 81.014 ± 0.001°
• Cell volume: 2222.5 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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 all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No