Information card for entry 7003807

Structure parameters

• Formula: C57 H48 Cl N P4 Ru
• Calculated formula: C57 H48 Cl N P4 Ru
• SMILES: [Ru]12([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)C#Cc1ccncc1
• Title of publication: Stepwise assembly of linearly-aligned Ru‒M‒Ru (M = Pd, Pt) heterotrimetallic complexes with σ-4-ethynylpyridine spacer
• Authors of publication: Ge, Qingchun; Hor, T. S. Andy
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 22
• Pages of publication: 2929 - 2936
• a: 13.5514 ± 0.0006 Å
• b: 13.5933 ± 0.0006 Å
• c: 13.8171 ± 0.0007 Å
• α: 108.138 ± 0.001°
• β: 94.06 ± 0.001°
• γ: 94.729 ± 0.001°
• Cell volume: 2397.98 ± 0.19 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0372
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No