Information card for entry 7108394

Structure parameters

• Formula: C27 H36 Br2 N2 Pb
• Calculated formula: C27 H36 Br2 N2 Pb
• SMILES: [Pb](Br)(=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)Br
• Title of publication: An N-heterocyclic carbene adduct of diatomic tin, :Sn[double bond, length as m-dash]Sn:
• Authors of publication: Cameron Jones; Anastas Sidiropoulos; Nicole Holzmann; Gernot Frenking; Andreas Stasch
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9855
• a: 10.628 ± 0.002 Å
• b: 19.09 ± 0.004 Å
• c: 14.334 ± 0.003 Å
• α: 90°
• β: 102.91 ± 0.03°
• γ: 90°
• Cell volume: 2834.7 ± 1.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No