Information card for entry 4511420

Structure parameters

• Formula: C17 H52 O28 P6 Zn5
• Calculated formula: C17 H44 O27 P6 Zn5
• 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: 23.215 ± 0.005 Å
• b: 17.112 ± 0.005 Å
• c: 10.343 ± 0.002 Å
• α: 90°
• β: 94.529 ± 0.01°
• γ: 90°
• Cell volume: 4096 ± 1.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.6888 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No