Information card for entry 7003367

Structure parameters

• Formula: C82 H110 Ag8 I8 N10 O2
• Calculated formula: C82 H110 Ag8 I8 N10 O2
• SMILES: c1(c(cccc1C(C)C)C(C)C)N1C2N(C=C1)c1nc(N3C(N(C=C3)c3c(cccc3C(C)C)C(C)C)=[Ag]=C3N(c4c(cccc4C(C)C)C(C)C)C=CN3c3nc(N4C(N(C=C4)c4c(cccc4C(C)C)C(C)C)=[Ag]=2)c(cc3C)C)c(cc1C)C.[Ag]1[I][Ag]2[I]1[Ag]1([I]3)[I]4[Ag]3([I][Ag][I][Ag]4[I]1)[I]2.CCOCC.O(CC)CC
• Title of publication: ‘Pincer’ pyridine dicarbene complexes of nickel and their derivatives. Unusual ring opening of a coordinated imidazol-2-ylidene
• Authors of publication: Pugh, David; Boyle, Aimee; Danopoulos, Andreas A.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 8
• Pages of publication: 1087 - 1094
• a: 13.6353 ± 0.0004 Å
• b: 22.1211 ± 0.0006 Å
• c: 17.064 ± 0.0005 Å
• α: 90°
• β: 98.09 ± 0.001°
• γ: 90°
• Cell volume: 5095.8 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0753
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No