Information card for entry 4342808

Structure parameters

• Formula: C31 H29 Mo N O3 P2
• Calculated formula: C31 H29 Mo N O3 P2
• SMILES: [Mo]12([P](CC[NH]2CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Multimetallic complexes based on a diphosphine-dithiocarbamate "janus" ligand.
• Authors of publication: Sherwood, Rebecca; Gonzàlez de Rivera, Ferran; Wan, Jane Hui; Zhang, Qi; White, Andrew J. P.; Rossell, Oriol; Hogarth, Graeme; Wilton-Ely, James D E T
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 4222 - 4230
• a: 9.1979 ± 0.0005 Å
• b: 9.4053 ± 0.0005 Å
• c: 16.4401 ± 0.0009 Å
• α: 99.193 ± 0.001°
• β: 91.308 ± 0.001°
• γ: 100.745 ± 0.001°
• Cell volume: 1377.3 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No