Information card for entry 7229389

Structure parameters

• Formula: C21 H20 N2 O6 Zn
• Calculated formula: C21 H20 N2 O6 Zn
• Title of publication: Single-crystal-to-single-crystal conversions of two metal-mediated photoreactive coordination polymers based on stereoselective [2+2] photocycloaddition reactions
• Authors of publication: Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 9.1976 ± 0.0018 Å
• b: 10.206 ± 0.002 Å
• c: 10.783 ± 0.002 Å
• α: 86.48 ± 0.03°
• β: 85.66 ± 0.03°
• γ: 79.8 ± 0.03°
• Cell volume: 992.2 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No