Information card for entry 4511415

Structure parameters

• Formula: C6 H22 O16 P4 Zn3
• Calculated formula: C6 H14 O16 P4 Zn3
• 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: 19.397 ± 0.003 Å
• b: 27.62 ± 0.005 Å
• c: 5.1655 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2767.4 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No