Information card for entry 7108396

Structure parameters

• Formula: C54 H72 N4 Sn2
• Calculated formula: C54 H72 N4 Sn2
• SMILES: c1(c(cccc1C(C)C)C(C)C)N1C(=[Sn][Sn]=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)N(C=C1)c1c(cccc1C(C)C)C(C)C
• 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: 13.8057 ± 0.0006 Å
• b: 12.2283 ± 0.0005 Å
• c: 15.4273 ± 0.0007 Å
• α: 90°
• β: 97.181 ± 0.002°
• γ: 90°
• Cell volume: 2584.01 ± 0.19 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No