Crystallography Open Database

Information card for entry 1516286

Preview

Coordinates	1516286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H22 N2 Na2 O10 S2 Zn
Calculated formula	C6 H17 N2 Na2 O10 S2 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	5.1893 ± 0.0002 Å
b	23.2065 ± 0.0008 Å
c	15.0008 ± 0.0005 Å
α	90°
β	92.561 ± 0.001°
γ	90°
Cell volume	1804.67 ± 0.11 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.0898
Goodness-of-fit parameter for all reflections included in the refinement	1.377
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1516286.cif
114489	2014-05-24	cif/ Adding structures of 1516286 via cif-deposit CGI script.	1516286.cif