Crystallography Open Database

Information card for entry 1516284

Preview

Coordinates	1516284.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H10 N2 O5 Zn
Calculated formula	C4 H10 N2 O5 Zn
Title of publication	High-field solid-state (67)Zn NMR spectroscopy of several zinc-amino acid complexes.
Authors of publication	Mroué, Kamal H; Power, William P.
Journal of publication	The journal of physical chemistry. A
Year of publication	2010
Journal volume	114
Journal issue	1
Pages of publication	324 - 335
a	9.09 ± 0.003 Å
b	9.537 ± 0.003 Å
c	10.42 ± 0.005 Å
α	106.112 ± 0.007°
β	105.815 ± 0.007°
γ	106.854 ± 0.005°
Cell volume	766.9 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0383
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	1.41
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516284.cif
114487	2014-05-24	cif/ Adding structures of 1516284 via cif-deposit CGI script.	1516284.cif