Information card for entry 4336722

Structure parameters

• Formula: C45 H42 N3 O3 Rh
• Calculated formula: C45 H42 N3 O3 Rh
• SMILES: [Rh]1234([n]5c(=Nc6n1c(cc6c1ccc(cc1)OC)c1ccccc1)c(cc5c1ccccc1)c1ccc(cc1)OC)[CH]1C5[CH]2=[CH]4C([CH]3=1)C5.O1CCCC1
• 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: 8.3394 ± 0.0007 Å
• b: 9.8567 ± 0.0008 Å
• c: 24.22 ± 0.002 Å
• α: 94.434 ± 0.001°
• β: 92.956 ± 0.001°
• γ: 114.087 ± 0.001°
• Cell volume: 1804.5 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0625
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No