Information card for entry 4083121

Structure parameters

• Common name: Integration of Woo34
• Formula: C65 H69 N6 O2 Rh
• Calculated formula: C65 H69 N6 O2 Rh
• SMILES: [Rh]123(=C4N(C)C=CN4CCCC)(C)[n]4c5=C(c6ccc(C(=c7ccc(C(=c8ccc(=C(c4cc5)c4ccc(C)cc4)n18)c1ccc(C)cc1)[n]37)c1ccc(C)cc1)n26)c1ccc(C)cc1.C1CCCO1.C1CCCO1
• Title of publication: Comparative Study of Rhodium and Iridium Porphyrin Diaminocarbene and N-Heterocyclic Carbene Complexes
• Authors of publication: Anding, Bernie J.; Ellern, Arkady; Woo, L. Keith
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 9
• Pages of publication: 2219
• a: 9.9009 ± 0.0007 Å
• b: 16.5931 ± 0.0011 Å
• c: 18.1728 ± 0.0012 Å
• α: 107.244 ± 0.001°
• β: 96.995 ± 0.001°
• γ: 90.062 ± 0.001°
• Cell volume: 2827.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1764
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No