Information card for entry 4075312

Structure parameters

• Formula: C62 H120 Ag2 Cl2 N4
• Calculated formula: C62 H120 Ag2 Cl2 N4
• SMILES: C1(N(C=CN1CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)=[Ag]1[Cl][Ag](=C2N(C=CN2CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)[Cl]1
• Title of publication: Silver(I) N-Heterocyclic Carbenes with Long N-Alkyl Chains
• Authors of publication: Lee, C. K.; Vasam, Chandra Sekhar; Huang, T. W.; Wang, H. M. J.; Yang, R. Y.; Lee, C. S.; Lin, Ivan J. B.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 15
• Pages of publication: 3768
• a: 22.21 ± 0.004 Å
• b: 16.383 ± 0.003 Å
• c: 9.2619 ± 0.0018 Å
• α: 90°
• β: 99.055 ± 0.004°
• γ: 90°
• Cell volume: 3328.1 ± 1.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No