Information card for entry 7105145

Structure parameters

• Formula: C40 H68 I4 N8 Rh2
• Calculated formula: C34 H54 I4 N8 Rh2
• SMILES: c12n(c(C)[n+](c2)C(C)C)CC2Cn3c(c[n+](c3C)C(C)C)[Rh]3412[I][Rh]12([I]3)([I]4)c3cn(c([n+]3CC1Cn1c2c[n+](c1C)C(C)C)C)C(C)C.[I-]
• Title of publication: Rhodium-mediated activation of an alkane-type C-H bond.
• Authors of publication: Krüger, Anneke; Neels, Antonia; Albrecht, Martin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 46
• Journal issue: 2
• Pages of publication: 315 - 317
• a: 15.2889 ± 0.0013 Å
• b: 15.9079 ± 0.0013 Å
• c: 20.8008 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5059.1 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P m n b
• Hall space group symbol: -P 2bc 2a
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1913
• Weighted residual factors for all reflections included in the refinement: 0.2086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No