Information card for entry 4305131

Structure parameters

• Chemical name: [PNP]2[W2(S)2(mnt)4]
• Formula: C44 H30 N5 P2 S5 W
• Calculated formula: C44 H30 N5 P2 S5 W
• Title of publication: Mono-oxo Bis(dithiolene) Mo(IV)/W(IV) Complexes as Building Blocks for Sulfide Bridged Bi- and Tri-Nuclear Complexes
• Authors of publication: Amit Majumdar; Joyee Mitra; Kuntal Pal; Sabyasachi Sarkar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5360 - 5364
• a: 9.596 ± 0.005 Å
• b: 14.382 ± 0.005 Å
• c: 16.81 ± 0.005 Å
• α: 96.992 ± 0.005°
• β: 101.49 ± 0.005°
• γ: 101.887 ± 0.005°
• Cell volume: 2192.4 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1152
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.2224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No