Information card for entry 7217697

Structure parameters

• Formula: C36 H41 Cu N9 O14
• Calculated formula: C36 H41 Cu N9 O14
• 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: 12.355 ± 0.003 Å
• b: 12.541 ± 0.003 Å
• c: 14.681 ± 0.003 Å
• α: 91.05 ± 0.03°
• β: 102.88 ± 0.03°
• γ: 117.34 ± 0.03°
• Cell volume: 1950.6 ± 1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0754
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No