Information card for entry 4131169

Structure parameters

• Common name: Cu-ISOCN-3
• Formula: C95 H112 Cu F6 N3 O5 P
• Calculated formula: C95 H112 Cu F6 N3 O5 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: 13.74 ± 0.003 Å
• b: 31.382 ± 0.006 Å
• c: 21.01 ± 0.004 Å
• α: 90°
• β: 99.681 ± 0.003°
• γ: 90°
• Cell volume: 8930 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.2176
• Residual factor for significantly intense reflections: 0.123
• Weighted residual factors for significantly intense reflections: 0.3287
• Weighted residual factors for all reflections included in the refinement: 0.3825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No