Information card for entry 7236460

Structure parameters

• Formula: C84 H60 N4 O8 Zn2
• Calculated formula: C84 H60 N4 O8 Zn2
• Title of publication: Nonlinear optical properties of a one-dimensional coordination polymer
• Authors of publication: Liu, Min; Quah, Hong Sheng; Wen, Shuangchun; Wang, Junyong; Kumar, P. Sanjay; Eda, Goki; Vittal, Jagadese J.; Ji, Wei
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 11
• Pages of publication: 2936
• a: 10.3376 ± 0.0006 Å
• b: 10.4327 ± 0.0006 Å
• c: 17.241 ± 0.0012 Å
• α: 72.432 ± 0.002°
• β: 88.856 ± 0.003°
• γ: 60.397 ± 0.002°
• Cell volume: 1522.49 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0758
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No