Information card for entry 4341127

Structure parameters

• Common name: (DOPO)2W
• Chemical name: Bis(2,4,6,8-tetra-tert-butyl-1,9-dioxophenoxazinato)tungsten(VI)
• Formula: C56 H76 N2 O6 W
• Calculated formula: C56 H76 N2 O6 W
• SMILES: [W]1234(Oc5c6N1c1c(O2)c(cc(c1Oc6c(cc5C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)N1c2c(O4)c(cc(c2Oc2c1c(O3)c(cc2C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Metal and Ligand Effects on Bonding in Group 6 Complexes of Redox-Active Amidodiphenoxides
• Authors of publication: Ranis, Leila G.; Werellapatha, Kalpani; Pietrini, Nicholas J.; Bunker, Bruce A.; Brown, Seth N.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2014
• Pages of publication: 140923084651005
• a: 20.554 ± 0.0012 Å
• b: 19.8902 ± 0.0012 Å
• c: 12.9611 ± 0.0008 Å
• α: 90°
• β: 91.0736 ± 0.0012°
• γ: 90°
• Cell volume: 5297.9 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No