Information card for entry 8100542

Structure parameters

• Formula: C18 H36 N4 O14 Zr
• Calculated formula: C18 H36 N4 O14 Zr
• SMILES: [Zr]123456([N](CC(=O)O1)(CC(=O)O2)CC(=O)O3)[N](CC(=O)O4)(CC(=O)O5)CC(=O)O6.[NH+](C)(C)C.[NH+](C)(C)C.O.O
• Title of publication: Crystal structure of bis(trimethylammonium) zirconium bis(nitrilotriacetate) dihydrate, [NH(CH~3~)~3~]~2~Zr[N(CH~2~COO)~3~]~2~ · 2H~2~O
• Authors of publication: Haussühl, Eiken; Giester, G.; Tillmanns, E.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 1
• Pages of publication: 69 - 70
• a: 9.812 ± 0.002 Å
• b: 12.026 ± 0.002 Å
• c: 21.347 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2518.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No