Information card for entry 8101165

Structure parameters

• Common name: triethylenetetramine 1.5 zirconium tris(nitrilotriacetate) dihydrate
• Formula: C24 H43 N7 O20 Zr1.5
• Calculated formula: C24 H43 N7 O20 Zr1.5
• Title of publication: Crystal structure of bis(triethylenetetramine) tris(zirconium) hexa (nitrilotriacetate) tetrahydrate, (NH~3~(CH~2~)~2~NH(CH~2~)~2~NH~2~ (CH~2~)~2~NH~3~)~2~(Zr)~3~(N(CH~2~COO)~3~)~6~ · 4H~2~O
• Authors of publication: Haussühl, Eiken; Haussühl, Siegfried; Schreuer, Jürgen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 1
• Pages of publication: 98 - 100
• a: 39.146 ± 0.008 Å
• b: 9.445 ± 0.002 Å
• c: 21.076 ± 0.004 Å
• α: 90°
• β: 116.41 ± 0.03°
• γ: 90°
• Cell volume: 6979 ± 2 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 significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0728
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No