Information card for entry 7201803

Structure parameters

• Common name: ZnPO-CJ36
• Formula: C6 H13 N3 O11 P2 Zn2
• Calculated formula: C6 H13 N3 O11 P2 Zn2
• Title of publication: (C6H10N3O2)Zn2(HPO4)(PO4)·H2O: An inorganic network with biofunctional amino acid dl-histidine molecules
• Authors of publication: Zhao, Lang; Li, Jiyang; Chen, Peng; Dong, Zhaojun; Yu, Jihong; Xu, Ruren
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 497
• a: 8.601 ± 0.0008 Å
• b: 9.0012 ± 0.0008 Å
• c: 9.908 ± 0.001 Å
• α: 84.754 ± 0.002°
• β: 83.338 ± 0.002°
• γ: 74.795 ± 0.002°
• Cell volume: 733.73 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No