Information card for entry 8100947

Structure parameters

• Common name: 'bis(dimethylamine) zirconium bis(nitrilotriacetate)' tetrahydrate
• Formula: C16 H36 N4 O16 Zr
• Calculated formula: C16 H36 N4 O16 Zr
• SMILES: [Zr]123456([N](CC(=O)O1)(CC(=O)O2)CC(=O)O3)[N](CC(=O)O4)(CC(=O)O5)CC(=O)O6.[NH2+](C)C.[NH2+](C)C.O.O.O.O
• Title of publication: Crystal structure of bis(dimethylammonium) zirconium bis(nitrilotriacetate) tetrahydrate, (CH~3~NH~2~CH~3~)~2~Zr(N(CH~2~COO)~3~)~2~ · 4H~2~O
• Authors of publication: Haussühl, Eiken; Giester, G.; Tillmanns, E.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 2
• Pages of publication: 275 - 276
• a: 11.916 ± 0.002 Å
• b: 9.906 ± 0.002 Å
• c: 12.064 ± 0.002 Å
• α: 90°
• β: 111.01 ± 0.03°
• γ: 90°
• Cell volume: 1329.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No