Information card for entry 4338704

Structure parameters

• Formula: C58 H44 N8 Rh
• Calculated formula: C58 H44 N8 Rh
• SMILES: [n]1(ccccc1)[Rh]123([n]4c5=C(c6ccc(C(=c7ccc([n]17)C(=c1ccc(=C(c4cc5)c4ccccc4)n21)c1ccccc1)c1ccccc1)n36)c1ccccc1)[n]1ccccc1.N#CC.N#CC
• Title of publication: Synthesis of N-confused tetraphenylporphyrin rhodium complexes having versatile metal oxidation states.
• Authors of publication: Srinivasan, Alagar; Toganoh, Motoki; Niino, Teppei; Osuka, Atsuhiro; Furuta, Hiroyuki
• Journal of publication: Inorganic chemistry
• Year of publication: 2008
• Journal volume: 47
• Journal issue: 23
• Pages of publication: 11305 - 11313
• a: 9.1793 ± 0.0008 Å
• b: 10.489 ± 0.001 Å
• c: 11.868 ± 0.002 Å
• α: 80.28 ± 0.01°
• β: 79.748 ± 0.007°
• γ: 84.367 ± 0.008°
• Cell volume: 1105.6 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No