Information card for entry 7021387

Structure parameters

• Formula: C33 H40 Rh2
• Calculated formula: C33 H40 Rh2
• SMILES: [Rh]1234567([CH]8=[CH]1CC[CH]2=[CH]3CC8)[c]1([C@@H](C[c]23[cH]8[Rh]9%10%11%12%132([CH]2=[CH]9CC[CH]%10=[CH]%11CC2)[cH]3[cH]%12[cH]8%13)C)[cH]4[cH]5[c]26[c]71cccc2
• Title of publication: Synthesis and reactivity of a cyclopentadienyl-indenyl ligand ring-coupled by a chiral bridge derived from ethyl (S)-(-) lactate.
• Authors of publication: Laï, Richard; Daran, Jean-Claude; Nuel, Didier; Sanz, Martial; Summerton, Nick; Vanthuyne, Nicolas; Zaragori-Benedetti, Anaïs
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 22
• Pages of publication: 7980 - 7990
• a: 8.2848 ± 0.0005 Å
• b: 23.825 ± 0.0013 Å
• c: 13.0062 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2567.2 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No