Information card for entry 4327443

Structure parameters

• Formula: C4 H10 N3 O5 P Zn
• Calculated formula: C4 H10 N3 O5 P Zn
• Title of publication: New Framework Connectivity Patterns in Templated Networks: The Creatinine Zinc Phosphites C4N3OH7.ZnHPO3, C4N3OH7.Zn(H2O)HPO3, and (C4N3OH7)2.ZnHPO3.H2O
• Authors of publication: William T. A. Harrison; Rachel M. Yeates; Mark L. F. Phillips; Tina M. Nenoff
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1493 - 1498
• a: 10.1198 ± 0.0007 Å
• b: 7.2996 ± 0.0005 Å
• c: 13.7421 ± 0.0009 Å
• α: 90°
• β: 107.522 ± 0.001°
• γ: 90°
• Cell volume: 968.03 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No