Information card for entry 4336716

Structure parameters

• Formula: C40 H34 N3 Rh
• Calculated formula: C40 H34 N3 Rh
• SMILES: [Rh]1234([n]5c(=Nc6n1c(c1ccccc1)cc6c1ccccc1)c(c1ccccc1)cc5c1ccccc1)[CH]1=[CH]2CC[CH]4=[CH]3CC1
• Title of publication: Azadipyrromethene Complexes of d8 Metal Centers: Rhodium(I), Iridium(I), Palladium(II), and Platinum(II)
• Authors of publication: Nihal Deligonul; Thomas G. Gray
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13048 - 13057
• a: 12.6175 ± 0.0014 Å
• b: 10.633 ± 0.0012 Å
• c: 22.807 ± 0.003 Å
• α: 90°
• β: 93.803 ± 0.001°
• γ: 90°
• Cell volume: 3053.1 ± 0.6 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No