Information card for entry 7057091

Structure parameters

• Formula: C36 H37 Cl2 Mo N6 P S4
• Calculated formula: C36 H37 Cl2 Mo N6 P S4
• 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: 13.3765 ± 0.0011 Å
• b: 15.2044 ± 0.0012 Å
• c: 19.531 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3972.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No