Information card for entry 1560774

Structure parameters

• Formula: C52 H44 N12 O16 Zn2
• Calculated formula: C52 H36 N12 O16 Zn2
• Title of publication: 3-Fold and 6-Fold interpenetrating diamond nets based on the designed N,N'-dioxide 3,3'-benzo(c)cinnoline dicarboxylic acid with highly sensitive luminscence sensing for NACs and Fe3+ ion
• Authors of publication: Zhang, Xiu-Tang; Chen, Hong-Tai; Li, Bin; Liu, Guang-Zeng; Liu, Xin-Zheng
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 267
• Pages of publication: 28 - 34
• a: 6.4259 ± 0.0003 Å
• b: 23.2131 ± 0.0012 Å
• c: 17.4546 ± 0.001 Å
• α: 90°
• β: 94.881 ± 0.002°
• γ: 90°
• Cell volume: 2594.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No