Information card for entry 7014598

Structure parameters

• Formula: C31 H34 N2 O5 Rh
• Calculated formula: C31 H34 N2 O5 Rh
• SMILES: [Rh]123(Oc4c(C[N]2(Cc2cc(cc(c2O1)C)C)Cc1[n]3cccc1)cc(cc4C)C)(OC)c1ccccc1.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: 10.3395 ± 0.0014 Å
• b: 14.753 ± 0.002 Å
• c: 23.961 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3655 ± 0.8 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• 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: 0.1005
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.2131
• Weighted residual factors for all reflections included in the refinement: 0.2348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No