Crystallography Open Database

Information card for entry 4334828

Preview

Coordinates	4334828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H25 Cl2 N7 O9 Zn
Calculated formula	C23 H25 Cl2 N7 O9 Zn
Title of publication	Integrated and Passive 1,2,3-Triazolyl Groups in Fluorescent Indicators for Zinc(II) Ions: Thermodynamic and Kinetic Evaluations
Authors of publication	J. Tyler Simmons; John R. Allen; Deborah R. Morris; Ronald J. Clark; Cathy W. Levenson; Michael W. Davidson; Lei Zhu
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5838 - 5850
a	11.2805 ± 0.0008 Å
b	13.893 ± 0.0009 Å
c	17.6101 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2759.9 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0238
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0609
Weighted residual factors for all reflections included in the refinement	0.0612
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4334828.cif
100712	2014-02-07	cif/ Adding structures of 4334828 via cif-deposit CGI script.	4334828.cif