Information card for entry 7010269

Structure parameters

• Common name: 00skl036
• Chemical name: a,a'-bis(3-mesityl-imidazol-2-ylidene)-o-xylene bis (silver bromide)
• Formula: C32.5 H35 Ag2 Cl3 N4
• Calculated formula: C32 H34 Ag2 Cl2 N4
• SMILES: [Ag](Cl)=C1N(c2c(cc(cc2C)C)C)C=CN1Cc1ccccc1CN1C=CN(c2c(cc(C)cc2C)C)C1=[Ag]Cl
• Title of publication: N-Functionalised heterocyclic carbene complexes of silver
• Authors of publication: Tulloch, Arran A. D.; Danopoulos, Andreas A.; Winston, Scott; Kleinhenz, Sven; Eastham, Graham
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 4499
• a: 17.2853 ± 0.0003 Å
• b: 12.7079 ± 0.0003 Å
• c: 18.5879 ± 0.0004 Å
• α: 90°
• β: 117.407 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 3624.73 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1598
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.2093
• Weighted residual factors for all reflections included in the refinement: 0.236
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No