Information card for entry 4506028

Structure parameters

• Formula: C321.4 H385.4 N25.4 Na8 O84 S10.6 Zn20
• Calculated formula: C321.4 H385.4 N25.4 Na8 O84 S10.6 Zn20
• Title of publication: Polynuclear Complexes of Ligands Containing in Situ Formed Oxazinane and Oxazolidine Rings with Appended Alkoxyl and Phenol Groups
• Authors of publication: Ding, Caixia; Zeng, Fanhua; Ni, Jia; Wang, Bingwu; Xie, Yongshu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 2089
• a: 20.148 ± 0.002 Å
• b: 15.227 ± 0.0016 Å
• c: 57.72 ± 0.005 Å
• α: 90°
• β: 98.443 ± 0.001°
• γ: 90°
• Cell volume: 17516 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1446
• Residual factor for significantly intense reflections: 0.1159
• Weighted residual factors for significantly intense reflections: 0.2065
• Weighted residual factors for all reflections included in the refinement: 0.2582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No