Information card for entry 4068816

Structure parameters

• Formula: C48 H46 N8 O4 Rh2
• Calculated formula: C48 H46 N8 O4 Rh2
• SMILES: [Rh]1234([n]5n([Rh]678([n]9n1c(c(n9)c1ccc(N(=O)=O)cc1)C(=C)c1ccccc1)[CH]1=[CH]6CC[CH]7=[CH]8CC1)c(c(n5)c1ccc(N(=O)=O)cc1)C(=C)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1
• Title of publication: Synthesis and Characterization of NH-triazole-Bound Rhodium(I) Complexes: Substituted-Group-Controlled Regioselective Coordination
• Authors of publication: Duan, Haifeng; Sengupta, Sujata; Petersen, Jeffrey L.; Shi, Xiaodong
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 8
• Pages of publication: 2352
• a: 11.175 ± 0.0009 Å
• b: 14.474 ± 0.0011 Å
• c: 15.8126 ± 0.0012 Å
• α: 66.485 ± 0.001°
• β: 71.6 ± 0.001°
• γ: 75.371 ± 0.001°
• Cell volume: 2201.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0743
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No