Information card for entry 4350122

Structure parameters

• Formula: C35 H42 Cl2 Ir2 N4 O2 P2
• Calculated formula: C35 H42 Cl2 Ir2 N4 O2 P2
• SMILES: [Ir]1(Cl)([P](C[P]2([Ir](Cl)([N](c3c2cccc3)(C)C)C#[O])c2c(N(C)C)cccc2)(c2c([N]1(C)C)cccc2)c1c(N(C)C)cccc1)C#[O]
• Title of publication: Various coordination modes of the bis(di(o-N,N-dimethylanilinyl)phosphino)methane ligand in mononuclear and binuclear complexes of group 8 and group 9 metals.
• Authors of publication: Dennett, James N. L.; Bierenstiel, Matthias; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 9
• Pages of publication: 3705 - 3717
• a: 17.3516 ± 0.0006 Å
• b: 20.0932 ± 0.0007 Å
• c: 20.9362 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7299.4 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No