Information card for entry 4304844

Structure parameters

• Common name: [Et4N][Mo(PPh3)(I)(mnt)2].CH2Cl2
• Chemical name: Tetraethylammonium bis(1,2-dicyanoethylenedithiolato) iodo triphenylphosphinato molybdate (IV)
• Formula: C35 H37 Cl2 I Mo N5 P S4
• Calculated formula: C35 H37 Cl2 I Mo N5 P S4
• Title of publication: Selectivity of Thiolate Ligand and Preference of Substrate in Model Reactions of Dissimilatory Nitrate Reductase
• Authors of publication: Amit Majumdar; Kuntal Pal; Sabyasachi Sarkar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3393 - 3401
• a: 13.616 ± 0.005 Å
• b: 15.386 ± 0.005 Å
• c: 18.9 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3959 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No