Information card for entry 7003368

Structure parameters

• Formula: C84 H106 Ag2 F6 N10 O8 S2
• Calculated formula: C84 H106 Ag2 F6 N10 O8 S2
• SMILES: c1(c(cccc1C(C)C)C(C)C)N1C2N(C=C1)c1nc(c(cc1C)C)N1C(N(C=C1)c1c(cccc1C(C)C)C(C)C)=[Ag]=C1N(c3c(cccc3C(C)C)C(C)C)C=CN1c1nc(N3C(=[Ag]=2)N(C=C3)c2c(cccc2C(C)C)C(C)C)c(cc1C)C.FC(F)(F)S(=O)(=O)[O-].O1CCCC1.FC(F)(F)S(=O)(=O)[O-].O1CCCC1
• 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: 12.7012 ± 0.0003 Å
• b: 13.0999 ± 0.0003 Å
• c: 13.2765 ± 0.0003 Å
• α: 89.413 ± 0.001°
• β: 74.81 ± 0.001°
• γ: 80.237 ± 0.001°
• Cell volume: 2099.59 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No