Crystallography Open Database

Information card for entry 4324899

Preview

Coordinates	4324899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H39 N7 O10 Zn
Calculated formula	C29 H39 N7 O10 Zn
SMILES	c12cc(c3c4c(cc(c3)N(C)C)[O](C)[Zn]35([n]24)([N](C1)(Cc1cccc[n]51)Cc1cccc[n]31)ON(=O)=O)OCC(C)C.N(=O)(=O)[O-].O.O
Title of publication	Ratiometric Fluorescent Sensor Based on Inhibition of Resonance for Detection of Cadmium in Aqueous Solution and Living Cells
Authors of publication	Lin Xue; Guoping Li; Qing Liu; Huanhuan Wang; Chun Liu; Xunlei Ding; Shenggui He; Hua Jiang
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	3680 - 3690
a	8.6084 ± 0.0017 Å
b	15.59 ± 0.003 Å
c	24.663 ± 0.005 Å
α	83.71 ± 0.03°
β	89.65 ± 0.03°
γ	78.83 ± 0.03°
Cell volume	3227.3 ± 1.2 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.1004
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179351 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/48.	4324899.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324899.cif
43350	2012-03-14	../uploads/cif-deposit/cod/cif Adding structures of 4324899 via cif-deposit CGI script.	4324899.cif