Information card for entry 7240334

Structure parameters

• Formula: C28 H21 Cl2 N5 O5 Zn
• Calculated formula: C28 H21 Cl2 N5 O5 Zn
• Title of publication: The impact of positional isomerism on electronic and photochromic properties of 1-D zinc-based naphthalene diimide coordination polymers
• Authors of publication: Hao, Pengfei; Zhu, Huihui; Pang, Yue; Shen, Junju; Fu, Yunlong
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 7.574 ± 0.0008 Å
• b: 12.2366 ± 0.0012 Å
• c: 15.0059 ± 0.0015 Å
• α: 90°
• β: 93.741 ± 0.003°
• γ: 90°
• Cell volume: 1387.8 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No