Information card for entry 7057093

Structure parameters

• Formula: C69 H60 Cl4 Mo2 N10 O P2 S8
• Calculated formula: C69 H60 Cl4 Mo2 N10 O P2 S8
• Title of publication: Synthesis and characterization of cyano and isocyano complexes of bis(dithiolato) molybdenum using Me3SiCN: a route to a cyanide-bridged multimer to a monomer
• Authors of publication: Bose, Moumita; Moula, Golam; Begum, Ameerunisha; Sarkar, Sabyasachi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 5580
• a: 21.026 ± 0.005 Å
• b: 19.802 ± 0.005 Å
• c: 20.241 ± 0.005 Å
• α: 90 ± 0.005°
• β: 118.266 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 7423 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.1247
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.2395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No