Information card for entry 4504857

Structure parameters

• Formula: C7 H106 N7 O88 S7 Zn28
• Calculated formula: C6.99 H69.96 N6.99 O88 S7 Zn28
• Title of publication: Synthesis and Characterization of Subcell−Supercell Related Ethylenediamine-Pillared Zinc Hydroxysulfates
• Authors of publication: Rujiwatra, Apinpus; Mander, Gavin J.; Kepert, Cameron J.; Rosseinsky, Matthew J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 183
• a: 21.926 ± 0.002 Å
• b: 21.926 ± 0.002 Å
• c: 10.5643 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4398.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.6923 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No