Information card for entry 7000725

Structure parameters

• Formula: C42 H44 Cl2 Mo N5 P S5
• Calculated formula: C42 H44 Cl2 Mo N5 P S5
• 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: 11.086 ± 0.005 Å
• b: 11.646 ± 0.005 Å
• c: 18.305 ± 0.005 Å
• α: 100.126 ± 0.005°
• β: 101.684 ± 0.005°
• γ: 97.983 ± 0.005°
• Cell volume: 2240.7 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1154
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.2109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No