Information card for entry 4500108

Structure parameters

• Chemical name: catena-{L-histidinium-κO-(μ~3~hydrogenphosphato)(μ~4~phosphato)- dizinc(II)} hydrate
• Formula: C6 H13 N3 O11 P2 Zn2
• Calculated formula: C6 H13 N3 O11 P2 Zn2
• Title of publication: A New Inorganic−Organic Hybrid Zinc Phosphate Prepared withl-Histidine with an Unusual Stability in Water
• Authors of publication: Mekhatria, Djilali; Rigolet, Séverinne; Janiak, Christoph; Simon-Masseron, Angélique; Hasnaoui, Mohammed Abdelkrim; Bengueddach, Abdelkader
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 396
• a: 8.6109 ± 0.0006 Å
• b: 9.0319 ± 0.0006 Å
• c: 9.9523 ± 0.0007 Å
• α: 84.481 ± 0.002°
• β: 83.279 ± 0.002°
• γ: 74.652 ± 0.002°
• Cell volume: 739.56 ± 0.09 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0364
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No