Crystallography Open Database

Information card for entry 4334831

Preview

Coordinates	4334831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H19 N6 O8 S
Calculated formula	C23 H16 N6 O8 S
Title of publication	Tris Chelating Phosphate Complexes of Bis(thio)urea Ligands
Authors of publication	Rui Li; Yanxia Zhao; Shaoguang Li; Peiju Yang; Xiaojuan Huang; Xiao-Juan Yang; Biao Wu
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5851 - 5860
a	4.433 ± 0.002 Å
b	20.9 ± 0.011 Å
c	30.555 ± 0.016 Å
α	90°
β	90°
γ	90°
Cell volume	2831 ± 2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
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	0.101
Residual factor for significantly intense reflections	0.0699
Weighted residual factors for significantly intense reflections	0.2065
Weighted residual factors for all reflections included in the refinement	0.2186
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
179451 (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 4/33/48.	4334831.cif
100715	2014-02-07	cif/ Adding structures of 4334831 via cif-deposit CGI script.	4334831.cif