Information card for entry 7029522

Structure parameters

• Formula: C18 H24 Mo2 N4 O6 S4
• Calculated formula: C18 H24 Mo2 N4 O6 S4
• 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: 9.0133 ± 0.0005 Å
• b: 14.7157 ± 0.0012 Å
• c: 10.0976 ± 0.0007 Å
• α: 90°
• β: 111.403 ± 0.004°
• γ: 90°
• Cell volume: 1246.95 ± 0.15 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• 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: 0.0196
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.0454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No