Information card for entry 7705567

Structure parameters

• Formula: C9.5 H10.5 N1.5 O3.5 P Zn
• Calculated formula: C8 H7 N O3 P Zn
• Title of publication: Coordinate bond- and hydrogen bond-assisted electron transfer strategy towards the generation of photochromic metal phosphites.
• Authors of publication: Liu, Ai-Ju; Han, Yue; Xu, Fei; Han, Song-De; Pan, Jie; Wang, Guo-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 41
• Pages of publication: 14598 - 14604
• a: 9.6484 ± 0.001 Å
• b: 5.2515 ± 0.0005 Å
• c: 22.483 ± 0.002 Å
• α: 90°
• β: 96.382 ± 0.01°
• γ: 90°
• Cell volume: 1132.12 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No