Information card for entry 4345802

Structure parameters

• Formula: C72 H54 N6 O14 S3 Zn2
• Calculated formula: C72 H54 N6 O14 S3 Zn2
• Title of publication: Luminescent Zn(II) Coordination Polymers for Highly Selective Sensing of Cr(III) and Cr(VI) in Water.
• Authors of publication: Gu, Tian-Yi; Dai, Ming; Young, David James; Ren, Zhi-Gang; Lang, Jian-Ping
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 4669 - 4679
• a: 9.451 ± 0.0005 Å
• b: 20.0108 ± 0.0007 Å
• c: 20.4706 ± 0.0006 Å
• α: 118.027 ± 0.004°
• β: 91.181 ± 0.004°
• γ: 103.093 ± 0.004°
• Cell volume: 3292 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.088
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1972
• Weighted residual factors for all reflections included in the refinement: 0.2099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No