Information card for entry 4511412

Structure parameters

• Formula: C6 H18 O8 P2 Zn
• Calculated formula: C6 H18 O8 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: 20.388 ± 0.004 Å
• b: 8.2663 ± 0.0013 Å
• c: 8.1857 ± 0.0013 Å
• α: 90°
• β: 102.72 ± 0.013°
• γ: 90°
• Cell volume: 1345.7 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No