Information card for entry 4083904

Structure parameters

• Formula: C47 H35 N4 Rh
• Calculated formula: C47 H35 N4 Rh
• SMILES: c12=C(c3ccc4=C(c5ccc6C(=c7ccc8C(=c(cc1)n2[Rh](CCC)([n]78)(n56)[n]34)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Alkylation of Rhodium Porphyrins Using Ammonium and Quinolinium Salts
• Authors of publication: Thompson, Samuel J.; Dong, Guangbin
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 14
• Pages of publication: 3757
• a: 9.9873 ± 0.0005 Å
• b: 16.2797 ± 0.0008 Å
• c: 21.6289 ± 0.0011 Å
• α: 90°
• β: 95.864 ± 0.003°
• γ: 90°
• Cell volume: 3498.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No