Crystallography Open Database

Information card for entry 1517835

Preview

Coordinates	1517835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20.5 Cl N6.5 O7 Zn
Calculated formula	C19 H20.5 Cl N6.5 O7 Zn
SMILES	[Zn]12([OH2])(N(N=C(C(=O)OCC)c3[n]2cc[nH]3)c2cccc3c2[n]1ccc3)[N]#CC.N#CC.Cl(=O)(=O)(=O)[O-]
Title of publication	Regulating signal enhancement with coordination-coupled deprotonation of a hydrazone switch
Authors of publication	Foy, Justin T.; Ray, Debdas; Aprahamian, Ivan
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	1
Pages of publication	209
a	22.782 ± 0.002 Å
b	7.5608 ± 0.0008 Å
c	26.996 ± 0.003 Å
α	90°
β	102.942 ± 0.001°
γ	90°
Cell volume	4531.9 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1222
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1595
Weighted residual factors for all reflections included in the refinement	0.1888
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1517835.cif
130970	2015-02-04	cif/ Updating files of 1517834, 1517835 Original log message: Adding full bibliography for 1517834--1517835.cif.	1517835.cif
124244	2014-09-26	cif/ Adding structures of 1517834, 1517835 via cif-deposit CGI script.	1517835.cif