Crystallography Open Database

Information card for entry 4334333

Preview

Coordinates	4334333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H7 Cu N O5 S
Calculated formula	C5 H7 Cu N O5 S
Title of publication	Synthesis and Chirality Control of Bulk Crystals and Nanocrystals: From a Right-Handed Nonpolar Chain to a Left-Handed Polar Chain
Authors of publication	Yan-Yan Yin; Yan-Li Zhao; Jian-Gong Ma; Xiao-Chang Cao; Peng Cheng
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	3738 - 3743
a	5.7404 ± 0.001 Å
b	7.7327 ± 0.0014 Å
c	17.87 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	793.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0956
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.1353
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179446 (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 4/33/43.	4334333.cif
100151	2014-02-04	cif/ Adding structures of 4334333 via cif-deposit CGI script.	4334333.cif