Information card for entry 7019779

Structure parameters

• Formula: C66 H62 Cl4 N2 P4 Ru2
• Calculated formula: C66 H62 Cl4 N2 P4 Ru2
• SMILES: c1cccc([P](c2ccccc2)(c2ccccc2)[Ru]23([NH]=C(c4ccccc4)c4c([P]2(C)C)cccc4)(Cl)[Cl][Ru]2([NH]=C(c4ccccc4)c4ccccc4[P]2(C)C)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Cl)[Cl]3)c1
• 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: 10.0277 ± 0.0004 Å
• b: 12.3376 ± 0.0005 Å
• c: 14.21 ± 0.0005 Å
• α: 98.147 ± 0.002°
• β: 110.24 ± 0.002°
• γ: 110.453 ± 0.002°
• Cell volume: 1474.93 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No