Information card for entry 4341124

Structure parameters

• Common name: Pb(DOPO)2 . 2C6H6
• Chemical name: Bis(2,4,6,8-tetra-tert-butyl-1,9-dioxophenoxazinato)lead(II) dibenzene solvate
• Formula: C68 H88 N2 O6 Pb
• Calculated formula: C68 H88 N2 O6 Pb
• SMILES: [Pb]1234(Oc5c6N1c1c(Oc6c(cc5C(C)(C)C)C(C)(C)C)c(cc(c1O2)C(C)(C)C)C(C)(C)C)N1c2c(O3)c(cc(c2Oc2c1c(O4)c(cc2C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.c1ccccc1.c1ccccc1
• 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: 18.2299 ± 0.0017 Å
• b: 16.8979 ± 0.0016 Å
• c: 39.677 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12222 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No