Crystallography Open Database

Information card for entry 7021308

Preview

Coordinates	7021308.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H27 Cl N2 O6 S2
Calculated formula	C32 H27 Cl N2 O6 S2
Title of publication	A naphthalene-thiophene hybrid molecule as a fluorescent AND logic gate with Zn(2+) and OAc(-) ions as inputs: cell imaging and computational studies.
Authors of publication	Karak, Debasis; Das, Sudipta; Lohar, Sisir; Banerjee, Arnab; Sahana, Animesh; Hauli, Ipsit; Mukhopadhyay, Subhra Kanti; Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Garcia, Yann; Das, Debasis
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	19
Pages of publication	6708 - 6715
a	10.5023 ± 0.0007 Å
b	10.7351 ± 0.0007 Å
c	13.3354 ± 0.0009 Å
α	101.051 ± 0.005°
β	93.924 ± 0.005°
γ	101.72 ± 0.005°
Cell volume	1435.79 ± 0.17 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1075
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
179918 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/13.	7021308.cif
86178	2013-05-09	cif/ Adding structures of 7021307, 7021308 via cif-deposit CGI script.	7021308.cif