Information card for entry 4086110

Structure parameters

• Formula: C48 H52 N3 Rh
• Calculated formula: C48 H52 N3 Rh
• SMILES: c12c3ccc(C(C)(C)C)ccc3c3C=c4c(c(CC)c5C=c6c(CC)c(CC)c7=Cc8c(c(C)c(=C1)[n]8[Rh](c23)(Cc1ccc(cc1)C)([n]45)n67)CC)C
• Title of publication: Rhodium(III) Azuliporphyrins
• Authors of publication: Stateman, Leah M.; Ferrence, Gregory M.; Lash, Timothy D.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 15
• Pages of publication: 3842
• a: 24.7302 ± 0.0012 Å
• b: 18.0224 ± 0.0008 Å
• c: 17.1286 ± 0.0008 Å
• α: 90°
• β: 95.809 ± 0.003°
• γ: 90°
• Cell volume: 7595 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No