Crystallography Open Database

Information card for entry 4339281

Preview

Coordinates	4339281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H13 N2 O6 S2 Zn2
Calculated formula	C13 H13 N2 O6 S2 Zn2
Title of publication	Amine-controlled assembly of metal-sulfite architecture from 1D chains to 3D framework.
Authors of publication	Austria, Cristina; Zhang, Jian; Valle, Henry; Zhang, Qichun; Chew, Emily; Nguyen, Dan-Tam; Gu, J. Y.; Feng, Pingyun; Bu, Xianhui
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	16
Pages of publication	6283 - 6290
a	10.5652 ± 0.0001 Å
b	9.6494 ± 0.0001 Å
c	17.034 ± 0.0002 Å
α	90°
β	102.682 ± 0.001°
γ	90°
Cell volume	1694.21 ± 0.03 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0747
Weighted residual factors for all reflections included in the refinement	0.0784
Goodness-of-fit parameter for all reflections included in the refinement	0.954
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
179495 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/92.	4339281.cif
117249	2014-06-14	cif/ Adding structures of 4339281 via cif-deposit CGI script.	4339281.cif