Information card for entry 7217699

Structure parameters

• Formula: C34 H30 Cu N8 O12
• Calculated formula: C34 H30 Cu N8 O12
• Title of publication: Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks
• Authors of publication: Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 38
• Pages of publication: 9090
• a: 19.379 ± 0.003 Å
• b: 19.379 ± 0.003 Å
• c: 23.744 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8917 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.163
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.2315
• Weighted residual factors for all reflections included in the refinement: 0.2719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No