Information card for entry 4511413

Structure parameters

• Formula: C3 H8 O6 P2 Zn
• Calculated formula: C3 H8 O6 P2 Zn
• Title of publication: Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families
• Authors of publication: Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 3612
• a: 8.595 ± 0.007 Å
• b: 5.056 ± 0.004 Å
• c: 18.096 ± 0.015 Å
• α: 90°
• β: 93.344 ± 0.009°
• γ: 90°
• Cell volume: 785 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0327
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No