Information card for entry 4511418

Structure parameters

• Formula: C12 H26 O12 P4 Zn3
• Calculated formula: C12 H26 O12 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: 8.685 ± 0.0013 Å
• b: 9.9739 ± 0.0015 Å
• c: 12.8831 ± 0.0019 Å
• α: 100.409 ± 0.002°
• β: 104.701 ± 0.002°
• γ: 90.945 ± 0.002°
• Cell volume: 1059.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No