Information card for entry 7053775

Structure parameters

• Common name: [AgCl(IDitop)]
• Formula: C43 H36 Ag Cl N2
• Calculated formula: C43 H36 Ag Cl N2
• SMILES: C1(=[Ag]Cl)N(C=CN1c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C)c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Preparation of a super bulky silver N-heterocyclic carbene complex
• Authors of publication: Alexander, Sean G.; Cole, Marcus L.; Morris, Jonathan C.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 4
• Pages of publication: 720
• a: 15.701 ± 0.002 Å
• b: 13.1938 ± 0.0016 Å
• c: 16.31 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3378.7 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0989
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No