Information card for entry 7054965

Structure parameters

• Formula: C53 H45 N9 O11 S2 Zn2
• Calculated formula: C53 H45 N9 O11 S2 Zn2
• Title of publication: Structural diversification and photocatalytic properties of zinc(ii) polymers modified by auxiliary N-containing ligands
• Authors of publication: Yin, Wen-Yu; Huang, Zuo-Long; Tang, Xiao-Yan; Wang, Jun; Cheng, Hong-Jian; Ma, Yun-Sheng; Yuan, Rong-Xin; Liu, Dong
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 9
• Pages of publication: 7130
• a: 10.3556 ± 0.0008 Å
• b: 10.9941 ± 0.0008 Å
• c: 22.5493 ± 0.0017 Å
• α: 96.459 ± 0.002°
• β: 90.358 ± 0.002°
• γ: 98.278 ± 0.002°
• Cell volume: 2523.7 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0525
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1769
• 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