Information card for entry 7105229

Structure parameters

• Formula: C16 H12 O16 P2 Zn3
• Calculated formula: C16 H12 O16 P2 Zn3
• Title of publication: A rutile-type porous zinc(II)-phosphonocarboxylate framework: local proton transfer and size-selected catalysis.
• Authors of publication: Liao, Teng-Biao; Ling, Yun; Chen, Zhen-Xia; Zhou, Ya-Ming; Weng, Lin-Hong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 7
• Pages of publication: 1100 - 1102
• a: 18.31 ± 0.006 Å
• b: 18.31 ± 0.006 Å
• c: 23.222 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7785 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No