Information card for entry 7000724

Structure parameters

• Formula: C26 H40 Mo N8 S6
• Calculated formula: C26 H40 Mo N8 S6
• Title of publication: Necessity of fine tuning in Mo(iv) bis(dithiolene) complexes to warrant nitrate reduction
• Authors of publication: Majumdar, Amit; Pal, Kuntal; Sarkar, Sabyasachi
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 11
• Pages of publication: 1927 - 1938
• a: 11.857 ± 0.005 Å
• b: 15.812 ± 0.005 Å
• c: 22.444 ± 0.005 Å
• α: 90°
• β: 121.891 ± 0.013°
• γ: 90°
• Cell volume: 3573 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.147
• Residual factor for significantly intense reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.2085
• Weighted residual factors for all reflections included in the refinement: 0.2443
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No