Information card for entry 4339220

Structure parameters

• Formula: C36 H41 Cl2 Co2 Mo2 O7 P
• Calculated formula: C36 H41 Cl2 Co2 Mo2 O7 P
• SMILES: [Mo]123456789%10([P]%11%12%13[Mo]%14%15%16%17%18%19([Co]%11([Co]%12%14(C#[O])(C#[O])C#[O])(C%15=O)(C#[O])(C#[O])[c]%111%13[cH]2[cH]3[cH]4[cH]5%11)(C#[O])[cH]1[cH]%16[cH]%17[cH]%18[cH]%191)[cH]1[c]6([cH]7[c]8([cH]9[c]%101C(C)(C)C)C(C)(C)C)C(C)(C)C.ClCCl
• Title of publication: Carbene- and carbyne-like behavior of the Mo-P multiple bond in a dimolybdenum complex inducing trigonal-pyramidal coordination of a phosphinidene ligand.
• Authors of publication: Alvarez, M. Angeles; Amor, Inmaculada; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6230 - 6232
• a: 9.759 ± 0.0001 Å
• b: 17.3399 ± 0.0002 Å
• c: 22.6713 ± 0.0002 Å
• α: 90°
• β: 97.326 ± 0.001°
• γ: 90°
• Cell volume: 3805.12 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0595
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No