Information card for entry 7019716

Structure parameters

• Formula: C72 H68 N2 O
• Calculated formula: C72 H68 N2 O
• SMILES: O(CC)CC.N(C1CNc2c(cc(cc2C(c2ccccc2)c2ccccc2)C)C1(c1ccccc1)c1ccccc1)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1
• 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: 13.639 ± 0.003 Å
• b: 14.388 ± 0.003 Å
• c: 14.442 ± 0.003 Å
• α: 101.09 ± 0.03°
• β: 92.85 ± 0.03°
• γ: 96.22 ± 0.03°
• Cell volume: 2757.5 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1423
• 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: No
• Has Fobs: No