Information card for entry 1520141

Structure parameters

• Formula: C27 H34 Cl N2 Rh
• Calculated formula: C27 H34 Cl N2 Rh
• SMILES: C1(N(c2ccccc2C)CCCCN1c1c(C)cccc1)=[Rh]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)Cl
• Title of publication: C27H34ClN2Rh
• Authors of publication: Coles, Simon J.; Hursthouse, Michael B.; Dervisi, A.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 479
• a: 11.4631 ± 0.0001 Å
• b: 12.2418 ± 0.0002 Å
• c: 17.1604 ± 0.0002 Å
• α: 90°
• β: 95.555 ± 0.001°
• γ: 90°
• Cell volume: 2396.79 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0421
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No