Crystallography Open Database

Information card for entry 4107350

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Structure parameters

Formula	C22 H14 Cl2 Hg N4 O8.5
Calculated formula	C22 H14 Cl2 Hg N4 O8.5
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	13.651 ± 0.003 Å
b	11.338 ± 0.002 Å
c	15.033 ± 0.003 Å
α	90°
β	107.58 ± 0.03°
γ	90°
Cell volume	2218.1 ± 0.8 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0803
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1622
Weighted residual factors for all reflections included in the refinement	0.1791
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
301832 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure.	4107350.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4107350.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107350.cif
55015	2012-05-02	cif/ Adding structures of 4107350 via cif-deposit CGI script.	4107350.cif