Information card for entry 4076032

Structure parameters

• Common name: Bert*Pb(II)Pb(IV)Bert*.benzene
• Formula: C78 H102 Pb2
• Calculated formula: C78 H102 Pb2
• SMILES: [Pb]1[Pb]2(C[C@@H](c3c(c4c1c(ccc4)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c(cc(c3)C(C)C)C(C)C)C)c1c(cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)[C@@H](C2)C.c1ccccc1.[Pb]1[Pb]2(C[C@H](c3c(c4c1c(ccc4)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c(cc(c3)C(C)C)C(C)C)C)c1c(cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)[C@H](C2)C.c1ccccc1
• Title of publication: Characterization of a Plumbylplumbylene: An Isomeric Form of a “Diplumbene”
• Authors of publication: Hino, Shirley; Olmstead, Marilyn M.; Power, Philip P.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 22
• Pages of publication: 5484
• a: 12.2208 ± 0.0013 Å
• b: 13.6627 ± 0.0014 Å
• c: 22.913 ± 0.002 Å
• α: 75.798 ± 0.002°
• β: 84.57 ± 0.002°
• γ: 64.935 ± 0.002°
• Cell volume: 3359.4 ± 0.6 ų
• Cell temperature: 86 ± 2 K
• Ambient diffraction temperature: 86 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No