Information card for entry 7114668

Structure parameters

• Common name: NacNacGaN(SiMe3)2(N3)
• Formula: C35 H59 Ga N6 Si2
• Calculated formula: C35 H59 Ga N6 Si2
• SMILES: [Ga]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N=N#N
• Title of publication: Unique structural isomerism involving tetrazole and amide/azide derivatives of gallium
• Authors of publication: Hardman, Ned J.; Power, Philip P.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 13
• Pages of publication: 1184
• a: 20.1655 ± 0.0008 Å
• b: 17.8134 ± 0.0007 Å
• c: 21.2546 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7635 ± 0.5 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No