Information card for entry 4069110

Structure parameters

• Formula: C66 H96 Ga2 N2 Si2
• Calculated formula: C66 H96 Ga2 N2 Si2
• SMILES: c1(c(cc(cc1c1c(cccc1C(C)C)C(C)C)[Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)[GaH]1[NH2][GaH](c2c(cc(cc2c2c(cccc2C(C)C)C(C)C)[Si](C)(C)C)c2c(cccc2C(C)C)C(C)C)[NH2]1
• Title of publication: Chalcogenide/Chalcogenolate Structural Isomers of Organo Group 13 Element Derivatives: Reactions of the Dimetallenes Ar′MMAr′ (Ar′ = C6H3-2,6-(C6H3-2,6-Pri2)2; M = Ga or In) with N2O or S8To Give (Ar′MIIIE)2(E = O or S) and the Synthesis and Characterization of [Ar′EMI]2(M = In or Tl; E = O, S)
• Authors of publication: Zhu, Zhongliang; Wright, Robert J.; Brown, Zachary D.; Fox, Alexander R.; Phillips, Andrew D.; Richards, Anne F.; Olmstead, Marilyn M.; Power, Philip P.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 8
• Pages of publication: 2512
• a: 13.388 ± 0.003 Å
• b: 15.214 ± 0.003 Å
• c: 15.665 ± 0.003 Å
• α: 90°
• β: 96.178 ± 0.003°
• γ: 90°
• Cell volume: 3172.2 ± 1.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.0473
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No