Information card for entry 7208020

Structure parameters

• Common name: dimethylammonium zinc (monoisopropyl 3,5-dicarboxyphenyl phosphonate)
• Chemical name: dimethylammonium zinc (monoisopropyl 3,5-dicarboxyphenyl phosphonate)
• Formula: C13 H18 N O7 P Zn
• Calculated formula: C13 H18 N O7 P Zn
• Title of publication: Syntheses of metal‒organic frameworks with protected phosphonate ligands
• Authors of publication: Yamada, Teppei; Kitagawa, Hiroshi
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 4148
• a: 9.7414 ± 0.0011 Å
• b: 16.0486 ± 0.0018 Å
• c: 11.0596 ± 0.0012 Å
• α: 90°
• β: 95.446 ± 0.001°
• γ: 90°
• Cell volume: 1721.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No