Information card for entry 8105274

Structure parameters

• Formula: C42 H68 Cl4 Mo6 N6 S12 Se15
• Calculated formula: C42 H68 Cl4 Mo6 N6 S12 Se15
• Title of publication: Crystal structure of [[Mo3Se7(S2CNEt2)3]2(μ-Se)] ⋅ 2(C6H4Cl2), C42H68Cl4Mo6N6S12Se15
• Authors of publication: Brakefield, Kyra; Barnes, Justin; Donahue, James P.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 3
• Pages of publication: 739 - 743
• a: 13.0196 ± 0.0019 Å
• b: 18.813 ± 0.003 Å
• c: 19.745 ± 0.003 Å
• α: 117.446 ± 0.002°
• β: 99.775 ± 0.002°
• γ: 98.233 ± 0.002°
• Cell volume: 4091.8 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No