Information card for entry 7706768

Structure parameters

• Chemical name: MoOCl3(dmpe)
• Formula: C6 H16 Cl3 Mo O P2
• Calculated formula: C6 H16 Cl3 Mo O P2
• SMILES: [Mo]1(Cl)(Cl)([P](C)(CC[P]1(C)C)C)(Cl)=O
• Title of publication: Synthesis, properties and structural features of molybdenum(v) oxide trichloride complexes with neutral chalcogenoether ligands.
• Authors of publication: Smith, Danielle E.; Levason, William; Powell, James; Reid, Gillian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 4380 - 4389
• a: 7.3716 ± 0.0001 Å
• b: 29.8674 ± 0.0006 Å
• c: 12.4489 ± 0.0002 Å
• α: 90°
• β: 93.989 ± 0.002°
• γ: 90°
• Cell volume: 2734.24 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No