Information card for entry 8100946

Structure parameters

• Formula: C13 H26 N6 O14 Zr
• Calculated formula: C13 H26 N6 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.[NH4+].NC(=[NH2+])N.O.O
• Title of publication: Crystal structure of ammonium guanidinium zirconium bis(nitrilotriacetate) dihydrate, (NH~4~)(C(NH~2~)~3~)Zr(N(CH~2~COO)~3~)~2~ · 2H~2~O
• Authors of publication: Haussühl, Eiken; Tillmanns, Ekkehart
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 2
• Pages of publication: 273 - 274
• a: 9.92 ± 0.002 Å
• b: 11.339 ± 0.002 Å
• c: 10.541 ± 0.002 Å
• α: 90°
• β: 113.35 ± 0.03°
• γ: 90°
• Cell volume: 1088.6 ± 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