Information card for entry 7021391

Structure parameters

• Common name: ZBP-NH4
• Formula: C12 H18 N2 O21 P6 Zn5
• Calculated formula: C12 H6 N2 O21 P6 Zn5
• Title of publication: Formation of zeolite-like zinc 1,3,5-benzenetriphosphonate open-frameworks by topotactic pillaring of anionic layers.
• Authors of publication: Maeda, Kazuyuki; Takamatsu, Ryohei; Mochizuki, Miki; Kawawa, Kanako; Kondo, Atsushi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 29
• Pages of publication: 10424 - 10432
• a: 8.5337 ± 0.0002 Å
• b: 16.1764 ± 0.0003 Å
• c: 19.9903 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2759.55 ± 0.11 ų
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 6
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0122
• RFsqd: 0.01357
• Residual factor R(I) for significantly intense reflections: 0.01958
• Goodness-of-fit parameter for all reflections: 0.6908
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.9986 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No