Information card for entry 7016563

Structure parameters

• Common name: 12,14,16,52,54,56-Hexamethyl-1,5(1,3,5)-tribenzena- 3,7,10(1,3)-tri-benzimidazoliabicyclo(3.3.3)undecaphane tribromide 7.7hydrate
• Formula: C45 H60.4 Br3 N6 O7.7
• Calculated formula: C45 H55 Br3 N6 O7.7
• Title of publication: The solution stability of copper(i) and silver(i) complexes with N-heterocyclic carbenes.
• Authors of publication: Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Fabbrizzi, Luigi; Fusco, Nadia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 33
• Pages of publication: 8367 - 8376
• a: 21.808 ± 0.002 Å
• b: 17.048 ± 0.0018 Å
• c: 15.9333 ± 0.0017 Å
• α: 90°
• β: 120.487 ± 0.002°
• γ: 90°
• Cell volume: 5104.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.2118
• Weighted residual factors for all reflections included in the refinement: 0.2331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No