Information card for entry 4076180

Structure parameters

• Formula: C21 H26 Ag Cl N2
• Calculated formula: C21 H26 Ag Cl N2
• SMILES: [Ag](Cl)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Synthesis of Well-DefinedN-Heterocyclic Carbene Silver(I) Complexes
• Authors of publication: de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Ramnial, Taramatee; Lightbody, Owen C.; Macdonald, Charles L. B.; Clyburne, Jason A. C.; Abernethy, Colin D.; Nolan, Steven P.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 26
• Pages of publication: 6301
• a: 21.0382 ± 0.001 Å
• b: 9.7005 ± 0.0005 Å
• c: 9.9477 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2030.14 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0111
• Residual factor for significantly intense reflections: 0.0111
• Weighted residual factors for significantly intense reflections: 0.0296
• Weighted residual factors for all reflections included in the refinement: 0.0297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No