Information card for entry 4307141

Structure parameters

• Formula: C44 H56 Mo2 O6 P2 Te2
• Calculated formula: C44 H56 Mo2 O6 P2 Te2
• SMILES: [Mo]1([Te](c2cccc3ccccc23)[Mo]([Te]1c1cccc3ccccc13)([P](C(C)C)(C(C)C)C(C)C)(C#[O])(C#[O])C#[O])([P](C(C)C)(C(C)C)C(C)C)(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis, Structure, and Thermochemistry of the Formation of the Metal-Metal Bonded Dimers [Mo(μ-TeAr)(CO)3(PiP3)]2 (Ar = Phenyl, Naphthyl) by Phosphine Elimination from .Mo(TePh)(CO)3(PiPr3)2
• Authors of publication: John J. Weir; James E. McDonough; George Fortman; Derek Isrow; Carl D. Hoff; Brian Scott; Gregory J. Kubas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 652 - 659
• a: 11.3864 ± 0.0003 Å
• b: 14.2809 ± 0.0003 Å
• c: 16.9416 ± 0.0004 Å
• α: 103.412 ± 0.0003°
• β: 91.5691 ± 0.0003°
• γ: 101.357 ± 0.0003°
• Cell volume: 2619.52 ± 0.11 ų
• Cell temperature: 141 ± 1 K
• Ambient diffraction temperature: 141 ± 1 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: 0.0449
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No