Information card for entry 7019778

Structure parameters

• Formula: C90 H78 Cl12 N2 P4 Ru2
• Calculated formula: C90 H78 Cl12 N2 P4 Ru2
• SMILES: c1ccc(cc1)[P](c1ccccc1)(c1ccccc1)[Ru]12([NH]=C(c3c([P]1(c1ccccc1)c1ccccc1)cccc3)c1ccccc1)(Cl)[Cl][Ru]1([NH]=C(c3c([P]1(c1ccccc1)c1ccccc1)cccc3)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)[Cl]2.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• 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: 25.477 ± 0.002 Å
• b: 12.7495 ± 0.001 Å
• c: 28.088 ± 0.002 Å
• α: 90°
• β: 103.21 ± 0.005°
• γ: 90°
• Cell volume: 8882.1 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No