Information card for entry 7038196

Structure parameters

• Formula: C13 H15 Cl Mo O3
• Calculated formula: C13 H15 Cl Mo O3
• SMILES: [Mo]1234(Cl)([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)(C#[O])(C#[O])C#[O]
• Title of publication: The reactivity of 1,1-dichloro-2,2-di-tert-butyldiphosphane towards lithiated metal carbonyls: a new entry to phosphanylphosphinidene dimers.
• Authors of publication: Grubba, Rafał; Zauliczny, Mateusz; Ponikiewski, Łukasz; Pikies, Jerzy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 4961 - 4964
• a: 6.8023 ± 0.0018 Å
• b: 8.1638 ± 0.0018 Å
• c: 14.697 ± 0.003 Å
• α: 102.766 ± 0.017°
• β: 94.08 ± 0.019°
• γ: 113.988 ± 0.019°
• Cell volume: 715.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No