Crystallography Open Database

Information card for entry 8100947

Preview

Coordinates	8100947.cif

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 Å³
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 F_obs	No

Version history

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