Information card for entry 4332797

Structure parameters

• Formula: C57 H84 Ga N5 Sn
• Calculated formula: C57 H84 Ga N5 Sn
• SMILES: [Sn]1([Ga]2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[N](=C(N1c1c(cccc1C(C)C)C(C)C)N(C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Complexes of an Anionic Gallium(I)N-Heterocyclic Carbene Analogue with Group 14 Element(II) Fragments: Synthetic, Structural and Theoretical Studies
• Authors of publication: Green, Shaun P.; Jones, Cameron; Lippert, Kai-Alexander; Mills, David P.; Stasch, Andreas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7242 - 7251
• a: 10.068 ± 0.002 Å
• b: 20.314 ± 0.004 Å
• c: 26.952 ± 0.005 Å
• α: 90°
• β: 91.27 ± 0.03°
• γ: 90°
• Cell volume: 5510.9 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No