Information card for entry 7032499

Structure parameters

• Formula: C105 H58 B4 Cl14 F60 N4 O2 Pb2 Se2
• Calculated formula: C98 H44 B4 F60 N4 O2 Pb2 Se2
• SMILES: [Pb]123[Se](CC(C)(C)[O]2[Pb]24[Se](CC(C)(C)[O]34)c3ccccc3C[N]2(C)C)c2ccccc2C[N]1(C)C.c1(c(c(c(c(c1F)F)F)F)F)[B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)[NH2][B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.c1(c(c(c(c(c1F)F)F)F)F)[B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)[NH2][B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: On the coordination chemistry of organochalcogenolates R(NMe2)^E(-) and R(NMe2)^E^O(-) (E = S, Se) onto lead(ii) and lighter divalent tetrel elements.
• Authors of publication: Pop, Alexandra; Wang, Lingfang; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 43
• Pages of publication: 16459 - 16474
• a: 11.9038 ± 0.0006 Å
• b: 14.3044 ± 0.0007 Å
• c: 32.5897 ± 0.0018 Å
• α: 90°
• β: 90.138 ± 0.002°
• γ: 90°
• Cell volume: 5549.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No