Information card for entry 7056483

Structure parameters

• Formula: C62 H44 N4 O P2 S5 W
• Calculated formula: C62 H44 N4 O P2 S5 W
• Title of publication: Mononuclear Bis(dithiolene) Mo(IV) and W(IV) Complexes with P, P; S, S; O, S and O, O Donor Ligands: A Comparative Reactivity Study
• Authors of publication: Khatua, Suman; Naskar, Tilak; Nandi, Chandan; Majumdar, Amit
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 18
• Pages of publication: 9769 - 9783
• a: 13.598 ± 0.004 Å
• b: 14.966 ± 0.006 Å
• c: 17.006 ± 0.007 Å
• α: 76.159 ± 0.013°
• β: 66.478 ± 0.007°
• γ: 63.077 ± 0.007°
• Cell volume: 2822.1 ± 1.8 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: 0.208
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.2125
• Weighted residual factors for all reflections included in the refinement: 0.2751
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No