Information card for entry 7018789

Structure parameters

• Formula: C57 H71 Cl5 O P2 Ru3
• Calculated formula: C57 H71 Cl5 O P2 Ru3
• SMILES: [Ru]12345678([P]9%10[C]1(c1ccccc1)=[C]2([C]3(=[C]4%10C(=O)[C]12[P]3([Ru]4%10%11%12%13%141([C]=2([C]4(=[C]3%10c1ccccc1)C)C)[c]1([c]%14([c]%13([c]%12([c]%111C)C)C)C)C)[Ru]12349(Cl)[c]9([c]1([c]2([c]3([c]49C)C)C)C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C.ClCCl.ClCCl
• Title of publication: Diastereoselective synthesis and coordination chemistry of enantiopure keto-bis-(2-phosphametallocene)s.
• Authors of publication: Carmichael, Duncan; le Goff, Xavier F.; Muller, Eric; Ricard, Louis; Stankevič, Marek
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 17
• Pages of publication: 5155 - 5162
• a: 11.427 ± 0.001 Å
• b: 13.624 ± 0.001 Å
• c: 17.85 ± 0.001 Å
• α: 90°
• β: 90.415 ± 0.001°
• γ: 90°
• Cell volume: 2778.8 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No