Information card for entry 7008613

Structure parameters

• Formula: C64 H104 Ga2 K2 N8 O2
• Calculated formula: C64 H104 Ga2 K2 N8 O2
• SMILES: C1=CN(c2c(cccc2C(C)C)C(C)C)[Ga]2([O]([K]3[N](C)(C)CC[N]3(C)C)[Ga]4([N](C=CN4c3c(cccc3C(C)C)C(C)C)c3c(cccc3C(C)C)C(C)C)[O]2[K]2[N](C)(C)CC[N]2(C)C)[N]1c1c(C(C)C)cccc1C(C)C
• Title of publication: Oxidation reactions of an anionic gallium(I) N-heterocyclic carbene analogue with group 16 compounds.
• Authors of publication: Baker, Robert J.; Jones, Cameron; Kloth, Marc
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 12
• Pages of publication: 2106 - 2110
• a: 12.498 ± 0.003 Å
• b: 12.816 ± 0.003 Å
• c: 12.885 ± 0.003 Å
• α: 83.87 ± 0.03°
• β: 65.85 ± 0.03°
• γ: 64.02 ± 0.03°
• Cell volume: 1686.3 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No