Crystallography Open Database

Information card for entry 4107349

Preview

Coordinates	4107349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H28 Cd Cl2 N8 O8
Calculated formula	C44 H28 Cd Cl2 N8 O8.02
Title of publication	Enhanced Metal Ion Selectivity of 2,9-Di-(pyrid-2-yl)-1,10-phenanthroline and Its Use as a Fluorescent Sensor for Cadmium(II)
Authors of publication	Gregory M. Cockrell; Gang Zhang; Donald G. VanDerveer; Randolph P. Thummel; Robert D. Hancock
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	1420 - 1430
a	16.617 ± 0.003 Å
b	19.661 ± 0.004 Å
c	12.12 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3959.7 ± 1.3 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	6
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.0367
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0705
Weighted residual factors for all reflections included in the refinement	0.0734
Goodness-of-fit parameter for all reflections included in the refinement	1.138
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
178819 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/73.	4107349.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107349.cif
55014	2012-05-02	cif/ Adding structures of 4107349 via cif-deposit CGI script.	4107349.cif