Information card for entry 7019141

Structure parameters

• Common name: (N,N?-bis(4-azido-2,6-diisopropylphenyl)imidazol-2- ylidene)chlorosilver(i)
• Formula: C27 H34 Au Cl N8
• Calculated formula: C27 H34 Au Cl N8
• SMILES: C1(N(C=CN1c1c(cc(cc1C(C)C)N=N#N)C(C)C)c1c(cc(cc1C(C)C)N=N#N)C(C)C)=[Au]Cl
• Title of publication: Access to functionalised silver(i) and gold(i) N-heterocyclic carbenes by [2 + 3] dipolar cycloadditions.
• Authors of publication: Hospital, Audrey; Gibard, Clémentine; Gaulier, Christelle; Nauton, Lionel; Théry, Vincent; El-Ghozzi, Malika; Avignant, Daniel; Cisnetti, Federico; Gautier, Arnaud
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 22
• Pages of publication: 6803 - 6812
• a: 9.9292 ± 0.0003 Å
• b: 15.3418 ± 0.0005 Å
• c: 21.8821 ± 0.0007 Å
• α: 90°
• β: 90.995 ± 0.001°
• γ: 90°
• Cell volume: 3332.84 ± 0.18 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No