Crystallography Open Database

Information card for entry 7056328

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Coordinates	7056328.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H18 N2 O10 P2 Zn
Calculated formula	C2 H18 N2 O10 P2 Zn
Title of publication	Interaction of Zn(II)-cyclen complex with aminomethylphosphonic acid: Original simultaneous potentiometric and 31P NMR data treatment
Authors of publication	Vargova, Zuzana; Rostasova, Ingrida; Vilkova, Maria; Gyepes, Robert; Litecka, Miroslava; Kubicek, Vojtech; Imrich, Jan; Lukes, Ivan
Journal of publication	New J. Chem.
Year of publication	2017
a	9.9779 ± 0.0004 Å
b	12.089 ± 0.0005 Å
c	10.2249 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1233.36 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0292
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0471
Weighted residual factors for all reflections included in the refinement	0.0489
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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