Information card for entry 7019783

Structure parameters

• Formula: C120 H107 Br3 Cl4 N2 P6 Ru2
• Calculated formula: C120 H102 Br3 Cl4 N2 P6 Ru2
• Title of publication: Rearrangements of phosphinoimines to phosphine-imines in ruthenium chelate complexes.
• Authors of publication: Brown, Christopher C.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 31
• Pages of publication: 9431 - 9438
• a: 17.1587 ± 0.0007 Å
• b: 14.9111 ± 0.0006 Å
• c: 20.5139 ± 0.0008 Å
• α: 90°
• β: 99.453 ± 0.002°
• γ: 90°
• Cell volume: 5177.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No