Information card for entry 1518861

Structure parameters

• Formula: C72 H80 B8 F32 Mo8 N24 O16 S4
• Calculated formula: C72 H80 B8 F32 Mo8 N24 O16 S4
• Title of publication: Synthesis and characterization of dimeric and square-shaped dicarboxylate-bridged dimolybdenum(II) coordination compounds
• Authors of publication: Dominik Hohne; Eberhardt Herdtweck; Alexander Pothig; Fritz E. Kuhn
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 424
• Pages of publication: 210 - 215
• a: 12.4639 ± 0.0007 Å
• b: 17.9126 ± 0.0011 Å
• c: 20.0691 ± 0.0012 Å
• α: 70.855 ± 0.003°
• β: 87.566 ± 0.003°
• γ: 80.438 ± 0.003°
• Cell volume: 4173.7 ± 0.4 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No