Information card for entry 4086499

Structure parameters

• Formula: C56 H43 N4 Rh
• Calculated formula: C56 H43 N4 Rh
• SMILES: [Rh]123([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)/C=C/c1ccccc1
• Title of publication: Base-Promoted Vinyl Carbon‒Bromine Bond Cleavage by Group 9 Metalloporphyrin Complexes
• Authors of publication: Wong, Ka Lai; Chen, Chen; Chan, Kin Shing
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 1847
• a: 13.2652 ± 0.0006 Å
• b: 13.7595 ± 0.0006 Å
• c: 14.0517 ± 0.0006 Å
• α: 92.399 ± 0.002°
• β: 111.005 ± 0.002°
• γ: 100.969 ± 0.002°
• Cell volume: 2333.57 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.2261
• Weighted residual factors for all reflections included in the refinement: 0.2625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No