Information card for entry 7014597

Structure parameters

• Formula: C24 H27 Cl N2 O4 Rh
• Calculated formula: C24 H27 Cl N2 O4 Rh
• SMILES: [Rh]123(Cl)(Oc4c(cc(cc4C[N]2(Cc2[n]3cccc2)Cc2cc(cc(c2O1)C)C)C)C)O.O
• Title of publication: Rhodium complexes bearing tetradentate diamine-bis(phenolate) ligands.
• Authors of publication: Liu, Xiang Y.; Lokare, Kapil S.; Ganesh, Somesh K.; Gonzales, Jason M.; Oxgaard, Jonas; Goddard, 3rd, William A; Periana, Roy A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 1
• Pages of publication: 301 - 304
• a: 9.2566 ± 0.0018 Å
• b: 9.2615 ± 0.0018 Å
• c: 13.978 ± 0.003 Å
• α: 76.053 ± 0.003°
• β: 77.247 ± 0.003°
• γ: 81.376 ± 0.003°
• Cell volume: 1128.4 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.188
• Weighted residual factors for all reflections included in the refinement: 0.2514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No