Crystallography Open Database

Information card for entry 7112702

Preview

Coordinates	7112702.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H24 F10 N4 O3 Zn
Calculated formula	C45 H24 F10 N4 O3 Zn
Title of publication	Selective and sensitive "turn-on" fluorescent Zn2+ sensors based on di- and tripyrrins with readily modulated emission wavelengths.
Authors of publication	Ding, Yubin; Xie, Yongshu; Li, Xin; Hill, Jonathan P.; Zhang, Weibing; Zhu, Weihong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2011
Journal volume	47
Journal issue	19
Pages of publication	5431 - 5433
a	28.864 ± 0.002 Å
b	10.206 ± 0.001 Å
c	14.8521 ± 0.0013 Å
α	90°
β	115.894 ± 0.002°
γ	90°
Cell volume	3936 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1049
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
180241 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/27.	7112702.cif
111795	2014-04-28	cif/ Adding structures of 7112701, 7112702, 7112703 via cif-deposit CGI script.	7112702.cif