Information card for entry 7240333

Structure parameters

• Formula: C24 H12 Cl2 N4 O5 Zn
• Calculated formula: C24 H12 Cl2 N4 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: 7.2372 ± 0.0011 Å
• b: 12.786 ± 0.0019 Å
• c: 14.237 ± 0.002 Å
• α: 68.774 ± 0.003°
• β: 78.572 ± 0.004°
• γ: 81.97 ± 0.004°
• Cell volume: 1200.4 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.139
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.1936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No