Information card for entry 2230330

Structure parameters

• Chemical name: Bis(1,3-dimesitylimidazolyl)gold(I) 2,4,8,10-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,8,10-tetrabora- 6-borataspiro[5.5]undecane
• Formula: C66 H68 Au B5 N4 O6
• Calculated formula: C66 H68 Au B5 N4 O6
• SMILES: [Au](=C1N(c2c(cc(cc2C)C)C)C=CN1c1c(cc(cc1C)C)C)=C1N(c2c(cc(cc2C)C)C)C=CN1c1c(cc(cc1C)C)C.O1B(O[B-]2(OB1c1ccccc1)OB(OB(c1ccccc1)O2)c1ccccc1)c1ccccc1
• Title of publication: Bis(1,3-dimesitylimidazolyl)gold(I) 2,4,8,10-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,8,10-tetrabora-6-borataspiro[5.5]undecane
• Authors of publication: Möhlmann, Lennart; Wendt, Ola F.; Johnson, Magnus T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m719 - m720
• a: 15.388 ± 0.002 Å
• b: 15.768 ± 0.002 Å
• c: 16.453 ± 0.002 Å
• α: 94.81 ± 0.01°
• β: 112.86 ± 0.01°
• γ: 117.65 ± 0.01°
• Cell volume: 3083.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0729
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No