Crystallography Open Database

Information card for entry 7225294

Preview

Coordinates	7225294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H26 N2 O4 S2 Zn
Calculated formula	C32 H26 N2 O4 S2 Zn
SMILES	c12c(c(C=O)cc(C)c2)O[Zn]2345[N](=C1)c1c([S]3CC[S]4c3c([N]2=Cc2c(c(C=O)cc(C)c2)O5)cccc3)cccc1
Title of publication	Imine functionalized thioether Zn(II) turn-on fluorescent sensor and selective sequential logic operations with H2PO4-, DFT computation and live cell imaging
Authors of publication	Sinha, Chittaranjan; Patra, Chiranjit; Bhanja, Anup Kumar; Sen, Chandana; Ojha, Durbadal; Chattopadhyay, Debprasad; Mahapatra, Ambikesh
Journal of publication	RSC Adv.
Year of publication	2016
a	25.7165 ± 0.0008 Å
b	7.5044 ± 0.0002 Å
c	16.189 ± 0.0005 Å
α	90°
β	113.067 ± 0.002°
γ	90°
Cell volume	2874.47 ± 0.15 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.0544
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.113
Weighted residual factors for all reflections included in the refinement	0.1269
Goodness-of-fit parameter for all reflections included in the refinement	0.857
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
183044 (current)	2016-05-20	cif/ Adding structures of 7225294 via cif-deposit CGI script.	7225294.cif