Information card for entry 7006132

Structure parameters

• Formula: C22 H30 Cl2 O4 Rh2
• Calculated formula: C22 H30 Cl2 O4 Rh2
• SMILES: C12=[O][Rh]3456([c]7([c]3([c]4([c]5([c]67C)C)C)C)C)(OC1=[O][Rh]1345([c]6([c]1([c]3([c]4([c]56C)C)C)C)C)([O]2)Cl)Cl
• Title of publication: Chiral or not chiral? A case study of the hexanuclear metalloprisms [Cp(6)M(6)(micro(3)-tpt-kappaN)(2)(micro-C2O4-kappaO)(3)]6+ (M = Rh, Ir, tpt = 2,4,6-tri(pyridin-4-yl)-1,3,5-triazine).
• Authors of publication: Govindaswamy, Padavattan; Linder, David; Lacour, Jérôme; Süss-Fink, Georg; Therrien, Bruno
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 39
• Pages of publication: 4457 - 4463
• a: 8.2751 ± 0.0006 Å
• b: 8.8048 ± 0.0007 Å
• c: 16.7033 ± 0.0012 Å
• α: 90°
• β: 93.804 ± 0.009°
• γ: 90°
• Cell volume: 1214.33 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.27
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No