Information card for entry 7019720

Structure parameters

• Formula: C92 H104 Ga N2 Na O6
• Calculated formula: C92 H104 Ga N2 Na O6
• SMILES: C1=[N](c2c(cc(cc2C(c2ccccc2)c2ccccc2)C)C(c2ccccc2)c2ccccc2)[Ga][N](=C1)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1.[O]1(CCCC1)[Na]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.C1CCCO1.C1CCCO1
• Title of publication: Synthesis and characterisation of anionic and neutral gallium(i) N-heterocyclic carbene analogues.
• Authors of publication: Dange, Deepak; Choong, Sam L.; Schenk, Christian; Stasch, Andreas; Jones, Cameron
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 31
• Pages of publication: 9304 - 9315
• a: 36.638 ± 0.007 Å
• b: 11.566 ± 0.002 Å
• c: 25.97 ± 0.005 Å
• α: 90°
• β: 134.67 ± 0.03°
• γ: 90°
• Cell volume: 7826 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No