Information card for entry 7004017

Structure parameters

• Formula: C40 H30 N3 O2 P2 Rh
• Calculated formula: C40 H30 N3 O2 P2 Rh
• SMILES: [Rh]1(C#[O])(C#[O])[N](c2ccccc2)=P(C(C#N)=P(N1c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Functionalized phosphorus analogues of the β-diketiminato ligand systems: bis(N-arylphosphinimino)acetonitrile-derived complexes of rhodium and iridium
• Authors of publication: Spannhoff, Kirsten; Kehr, Gerald; Kehr, Seda; Fröhlich, Roland; Erker, Gerhard
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 25
• Pages of publication: 3339 - 3344
• a: 9.8125 ± 0.0002 Å
• b: 20.4272 ± 0.0005 Å
• c: 17.5318 ± 0.0002 Å
• α: 90°
• β: 102.278 ± 0.002°
• γ: 90°
• Cell volume: 3433.73 ± 0.12 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 6
• 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: 0.078
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No