Information card for entry 4086134

Structure parameters

• Formula: C48 H37 Br Cl N4 Rh
• Calculated formula: C48 H36 Br Cl N4 Rh
• SMILES: [Rh]123(Cl)(Br)[n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4cc5)c1ccc(cc1)C)cc2)c1ccc(cc1)C)cc3)c1ccc(cc1)C)cc6)c1ccc(cc1)C
• Title of publication: Facile Aerobic Alkylation of Rhodium Porphyrins with Alkyl Halides
• Authors of publication: Yang, Wu; Zuo, Huiping; Lai, Wai Yan; Feng, Shiyu; Pang, Yat Sing; Hung, Kai En; Yu, Chu Yi; Lau, Yin Fan; Tsoi, Ho Yin; Chan, Kin Shing
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 16
• Pages of publication: 4051
• a: 25.5829 ± 0.0007 Å
• b: 28.0608 ± 0.0009 Å
• c: 12.9824 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9319.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1568
• Residual factor for significantly intense reflections: 0.1286
• Weighted residual factors for significantly intense reflections: 0.3286
• Weighted residual factors for all reflections included in the refinement: 0.3438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No