Information card for entry 4350123

Structure parameters

• Formula: C36 H42 N4 O3 P2 Ru
• Calculated formula: C36 H42 N4 O3 P2 Ru
• SMILES: [Ru]1([P](C[P]1(c1c(N(C)C)cccc1)c1c(N(C)C)cccc1)(c1c(N(C)C)cccc1)c1c(N(C)C)cccc1)(C#[O])(C#[O])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: 12.2902 ± 0.0007 Å
• b: 16.4522 ± 0.0009 Å
• c: 19.0154 ± 0.0011 Å
• α: 90°
• β: 107.735 ± 0.001°
• γ: 90°
• Cell volume: 3662.2 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0329
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No