Information card for entry 7240015

Structure parameters

• Formula: C36 H37 N2 O20 Zn2
• Calculated formula: C36 H37 N2 O20 Zn2
• Title of publication: Sun, UV and X ray triple photochromic properties of three coordination polymers based on 1,1′-bis(3-carboxylatobenzyl)-4,4′-bipyridinium ligand
• Authors of publication: Liu, Jin-Jian; Lu, Yiwei; Lu, Wenbo
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 9.0976 ± 0.0006 Å
• b: 9.225 ± 0.0006 Å
• c: 13.298 ± 0.0009 Å
• α: 76.768 ± 0.002°
• β: 80.206 ± 0.002°
• γ: 62.475 ± 0.001°
• Cell volume: 960.76 ± 0.11 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No