Information card for entry 7706766

Structure parameters

• Chemical name: [MoOCl3(MeSe(CH2)2SeMe)]
• Formula: C4 H10 Cl3 Mo O Se2
• Calculated formula: C4 H10 Cl3 Mo O Se2
• SMILES: [Mo]1([Se](CC[Se]1C)C)(Cl)(Cl)(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: 7.45509 ± 0.00005 Å
• b: 12.18741 ± 0.00007 Å
• c: 12.53334 ± 0.00008 Å
• α: 90°
• β: 96.6596 ± 0.0006°
• γ: 90°
• Cell volume: 1131.07 ± 0.012 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 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: 0.0209
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No