Information card for entry 4119989

Structure parameters

• Formula: C60 H70 Ag2 F12 N10 P2
• Calculated formula: C60 H70 Ag2 F12 N10 P2
• SMILES: C12N(C=CN1CCCC)c1ccc(cc1)[C@H]1[C@H]3[C@H](c4ccc(N5C(N(C=C5)CCCC)=[Ag]=C5N(C=CN5CCCC)c5ccc3cc5)cc4)[C@H]1c1ccc(N3C(=[Ag]=2)N(C=C3)CCCC)cc1.[P](F)(F)(F)(F)(F)[F-].CC#N.[P](F)(F)(F)(F)(F)[F-].CC#N
• Title of publication: Postsynthetic Modification of Dicarbene-Derived Metallacycles via Photochemical [2 + 2] Cycloaddition
• Authors of publication: Ying-Feng Han; Guo-Xin Jin; F. Ekkehardt Hahn
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 9263 - 9266
• a: 11.7685 ± 0.0002 Å
• b: 12.2958 ± 0.0002 Å
• c: 13.1428 ± 0.0002 Å
• α: 102.672 ± 0.001°
• β: 109.055 ± 0.001°
• γ: 111.06 ± 0.001°
• Cell volume: 1550.51 ± 0.05 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No