Information card for entry 4336721

Structure parameters

• Formula: C36 H26 N3 O4 Rh
• Calculated formula: C36 H26 N3 O4 Rh
• SMILES: [Rh]1([n]2c(=Nc3n1c(cc3c1ccc(cc1)OC)c1ccccc1)c(c1ccc(cc1)OC)cc2c1ccccc1)(C#[O])C#[O]
• 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: 14.2132 ± 0.0011 Å
• b: 24.0965 ± 0.0019 Å
• c: 8.8235 ± 0.0007 Å
• α: 90°
• β: 105.157 ± 0.001°
• γ: 90°
• Cell volume: 2916.8 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• 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: 0.0268
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No