Information card for entry 8100763

Structure parameters

• Formula: C14 H26 N10 O12 Zr
• Calculated formula: C14 H26 N10 O12 Zr
• SMILES: [Zr]123456([N](CC(=O)O1)(CC(=O)O2)CC(=O)O3)[N](CC(=O)O4)(CC(=O)O5)CC(=O)O6.NC(=[NH2+])NN.NC(=[NH2+])NN
• Title of publication: Crystal structure of bis(aminoguanidinium) bis(nitrilotriacetato)zirconate, [(NH~2~)~2~CNHNH~2~]~2~Zr[N(CH~2~COO)~3~]~2~
• Authors of publication: Haussühl, Eiken; Haussühl, Siegfried; Tillmanns, E.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 4
• Pages of publication: 531 - 532
• a: 9.995 ± 0.002 Å
• b: 10.554 ± 0.002 Å
• c: 11.196 ± 0.002 Å
• α: 90°
• β: 92.95 ± 0.03°
• γ: 90°
• Cell volume: 1179.5 ± 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