Information card for entry 7019718

Structure parameters

• Formula: C88 H88 Ga N4 Na
• Calculated formula: C88 H88 Ga N4 Na
• SMILES: [Ga]1N(C=CN1c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1.[Na]1([N](CC[N]1(C)C)(C)C).c1cccc(c1)C.c1(ccccc1)C
• 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: 12.329 ± 0.003 Å
• b: 12.39 ± 0.003 Å
• c: 24.625 ± 0.005 Å
• α: 88.71 ± 0.03°
• β: 83.1 ± 0.03°
• γ: 74.15 ± 0.03°
• Cell volume: 3592.2 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No