Information card for entry 7021644

Structure parameters

• Formula: C23 H19 N4 O2 Rh
• Calculated formula: C23 H19 N4 O2 Rh
• SMILES: [Rh]1(N(N=C(N=[N]1c1ccccc1)c1ccccc1)c1c(cccc1C)C)(C#[O])C#[O]
• Title of publication: N-Aryl β-diiminate complexes of the platinum metals.
• Authors of publication: Zhu, Di; Budzelaar, Peter H. M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 32
• Pages of publication: 11343 - 11354
• a: 12.8493 ± 0.0011 Å
• b: 11.4303 ± 0.0006 Å
• c: 15.1654 ± 0.0011 Å
• α: 90°
• β: 114.211 ± 0.005°
• γ: 90°
• Cell volume: 2031.4 ± 0.3 ų
• Cell temperature: 248 ± 2 K
• Ambient diffraction temperature: 248 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for all reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections included in the refinement: 0.0474
• Goodness-of-fit parameter for all reflections: 1.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No