Information card for entry 4131170

Structure parameters

• Common name: Cu-ISOCN-2
• Formula: C79 H79 Cu F6 N3 O P
• Calculated formula: C79 H79 Cu F6 N3 O P
• Title of publication: Robust, Transformable, and Crystalline Single-Node Organometallic Networks Constructed from Ditopic m-Terphenyl Isocyanides.
• Authors of publication: Agnew, Douglas W.; Gembicky, Milan; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 46
• Pages of publication: 15138 - 15141
• a: 38.4955 ± 0.0014 Å
• b: 17.5041 ± 0.0006 Å
• c: 27.6236 ± 0.001 Å
• α: 90°
• β: 113.737 ± 0.002°
• γ: 90°
• Cell volume: 17038.9 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1493
• Residual factor for significantly intense reflections: 0.0999
• Weighted residual factors for significantly intense reflections: 0.2839
• Weighted residual factors for all reflections included in the refinement: 0.339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.295
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No