Crystallography Open Database

Information card for entry 8102654

Preview

Coordinates	8102654.cif

Structure parameters

Formula	C20 H14 Cd I2 N4
Calculated formula	C20 H14 Cd I2 N4
SMILES	[Cd]12(I)(I)[n]3ccccc3c3[n]1c(cc(c3)c1ncccc1)c1[n]2cccc1
Title of publication	Crystal structure of diiodo-(4'-(2-pyridyl)-2,2':6',2''-terpyridine)cadmium(II), Cd(C20H14N4)I2
Authors of publication	Lei Gou
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	1
Pages of publication	157
a	9.017 ± 0.004 Å
b	9.677 ± 0.004 Å
c	12.296 ± 0.005 Å
α	81.645 ± 0.005°
β	81.231 ± 0.005°
γ	87.85 ± 0.005°
Cell volume	1049 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0809
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102654.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102654.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102654.cif
13393	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102654 via cif-deposit CGI script.	8102654.cif