Information card for entry 7036422

Structure parameters

• Formula: C24 H12 Cl2 N4 O4 Zn
• Calculated formula: C24 H12 Cl2 N4 O4 Zn
• Title of publication: The impact of lone pair-π interactions on photochromic properties in 1-D naphthalene diimide coordination networks.
• Authors of publication: Liu, Jian-Jun; Guan, Ying-Fang; Chen, Yong; Lin, Mei-Jin; Huang, Chang-Cang; Dai, Wen-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 39
• Pages of publication: 17312 - 17317
• a: 11.913 ± 0.002 Å
• b: 12.215 ± 0.002 Å
• c: 13.877 ± 0.003 Å
• α: 108.44 ± 0.03°
• β: 93.66 ± 0.03°
• γ: 111.61 ± 0.03°
• Cell volume: 1743.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0598
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No