Information card for entry 7058339

Structure parameters

• Formula: C102 H116 Cl4 Mo4 N20 O3 P2 S16
• Calculated formula: C102 H116 Cl4 Mo4 N20 O3 P2 S16
• Title of publication: Structurally characterized one oxo‒desoxo bridged Mo2‒bis(dithiolene) complex and its interconversion to a discrete oxo or desoxo DMSOR model
• Authors of publication: Moula, Golam; Bose, Moumita; Sarkar, Sabyasachi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 21
• Pages of publication: 8332
• a: 10.936 ± 0.005 Å
• b: 16.122 ± 0.005 Å
• c: 18.503 ± 0.005 Å
• α: 83.009 ± 0.005°
• β: 72.837 ± 0.005°
• γ: 88.972 ± 0.005°
• Cell volume: 3093.3 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0891
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.2031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No