Information card for entry 4077749

Structure parameters

• Formula: C36 H48 Ga2 N2
• Calculated formula: C36 H48 Ga2 N2
• SMILES: C1(C(=C(C(=C1C)C)C)C)(C)[Ga]1N(c2c(cccc2C)C)[Ga](C2(C(=C(C(=C2C)C)C)C)C)N1c1c(cccc1C)C
• Title of publication: Novel Ga2N2Ring Systems by Reaction of Pentamethylcyclopentadienylgallium with Organic Azides
• Authors of publication: Jutzi, Peter; Neumann, Beate; Reumann, Guido; Stammler, Hans-Georg
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 2037
• a: 12.788 ± 0.003 Å
• b: 9.086 ± 0.002 Å
• c: 14.702 ± 0.003 Å
• α: 90°
• β: 104.84 ± 0.02°
• γ: 90°
• Cell volume: 1651.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0708
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No