Information card for entry 7217696

Structure parameters

• Formula: C36 H41 N9 O14 Zn
• Calculated formula: C36 H41 N9 O14 Zn
• 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: 12.47 ± 0.003 Å
• b: 12.614 ± 0.003 Å
• c: 14.991 ± 0.003 Å
• α: 91.74 ± 0.03°
• β: 102.37 ± 0.03°
• γ: 116.9 ± 0.03°
• Cell volume: 2032 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No