Information card for entry 7021556

Structure parameters

• Formula: C40 H57 B N O2 P2 Ru
• Calculated formula: C40 H57 B N O2 P2 Ru
• SMILES: [RuH]123456([P](OCCNCCO[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)[cH]1[cH]2[cH]3[cH]4[cH]5[c]61[B](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and reactivity of ruthenium tridentate bis-phosphinite ligand complexes.
• Authors of publication: Sgro, Michael J.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 29
• Pages of publication: 10460 - 10472
• a: 13.6707 ± 0.0006 Å
• b: 13.3994 ± 0.0005 Å
• c: 21.017 ± 0.0008 Å
• α: 90°
• β: 93.096 ± 0.001°
• γ: 90°
• Cell volume: 3844.3 ± 0.3 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: 0.0404
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No