Information card for entry 4345803

Structure parameters

• Formula: C90 H62 N6 O12 Zn2
• Calculated formula: C90 H60 N6 O12 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: 29.287 ± 0.003 Å
• b: 16.6983 ± 0.0014 Å
• c: 16.7466 ± 0.0015 Å
• α: 90°
• β: 101.511 ± 0.01°
• γ: 90°
• Cell volume: 8025.1 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1512
• Residual factor for significantly intense reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.2732
• Weighted residual factors for all reflections included in the refinement: 0.3172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No