Information card for entry 7000713

Structure parameters

• Formula: C68 H76 Ag4 Br4 N8
• Calculated formula: C68 H76 Ag4 Br4 N8
• SMILES: c1c2cccc1c1ccccc1CN1C(N(C=C1)CCCC)=[Ag]=C1N(C=CN1CCCC)Cc1ccccc21.[Ag]1(Br)[Br][Ag](Br)[Br]1.[Ag]1=C2N(Cc3c(c4cc(ccc4)c4c(CN5C=CN(CCCC)C=15)cccc4)cccc3)C=CN2CCCC
• Title of publication: Canopied trans-chelating bis(N-heterocyclic carbene) ligand: synthesis, structure and catalysis
• Authors of publication: Morgan, Brad P.; Galdamez, Gabriela A.; Gilliard, Jr., Robert J.; Smith, Rhett C.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 11
• Pages of publication: 2020 - 2028
• a: 15.262 ± 0.003 Å
• b: 10.348 ± 0.002 Å
• c: 21.561 ± 0.004 Å
• α: 90°
• β: 103.12 ± 0.03°
• γ: 90°
• Cell volume: 3316.3 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0465
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No