Information card for entry 7029523

Structure parameters

• Formula: C12 H14 Mo2 N2 O6 S2
• Calculated formula: C12 H14 Mo2 N2 O6 S2
• Title of publication: Electronic tuning of Mo2(thioamidate)4 complexes through π-system substituents and cis/trans isomerism.
• Authors of publication: Dolinar, Brian S.; Berry, John F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 16
• Pages of publication: 6165 - 6176
• a: 5.45 ± 0.002 Å
• b: 8.227 ± 0.003 Å
• c: 18.268 ± 0.008 Å
• α: 90°
• β: 96.805 ± 0.015°
• γ: 90°
• Cell volume: 813.3 ± 0.6 ų
• Cell temperature: 100 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: 0.0606
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.509
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No