Crystallography Open Database

Information card for entry 4331584

Preview

Coordinates	4331584.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 Bi Cl3 N4 O14
Calculated formula	C22 H16 Bi Cl3 N4 O14
Title of publication	Selectivity of the Highly Preorganized Tetradentate Ligand 2,9-Di(pyrid-2-yl)-1,10-phenanthroline for Metal Ions in Aqueous Solution, Including Lanthanide(III) Ions and the Uranyl(VI) Cation
Authors of publication	Ashley N. Carolan; Gregory M. Cockrell; Neil J. Williams; Gang Zhang; Donald G. VanDerveer; Hee-Seung Lee; Randolph P. Thummel; Robert D. Hancock
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	15 - 27
a	9.0538 ± 0.001 Å
b	9.0953 ± 0.0008 Å
c	17.313 ± 0.0014 Å
α	79.48 ± 0.015°
β	80.32 ± 0.014°
γ	72.61 ± 0.013°
Cell volume	1327.8 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0882
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.1722
Weighted residual factors for all reflections included in the refinement	0.1914
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
179418 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/15.	4331584.cif
97719	2014-01-29	cif/ Adding structures of 4331584 via cif-deposit CGI script.	4331584.cif