Information card for entry 8102453

Structure parameters

• Chemical name: bis(hexylammonium) zirconium bis(nitrilotriacetate) dihydrate
• Formula: C24 H48 N4 O14 Zr
• Calculated formula: C24 H48 N4 O14 Zr
• Title of publication: Crystal structure of bis(hexylammonium) zirconium bis(nitrilotriacetate) dihydrate, Zr(C6H16N)2(N(CH2COO)3)2 · 2H2O
• Authors of publication: Eiken Haussühl; Siegfried Haussühl
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 3
• Pages of publication: 407
• a: 18.866 ± 0.004 Å
• b: 11.886 ± 0.002 Å
• c: 16.096 ± 0.003 Å
• α: 90°
• β: 113.2 ± 0.03°
• γ: 90°
• Cell volume: 3317.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No