Crystallography Open Database

Information card for entry 4333437

Preview

Coordinates	4333437.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 Cd I2 N5 O
Calculated formula	C14 H18 Cd I2 N5 O
SMILES	c1cn(C)c2[n]1[Cd]([N](c1ccc(C)cc1)=N2)(I)(I)[O]=CN(C)C
Title of publication	Cadmium(II) Complexes of (Arylazo)imidazoles: Synthesis, Structure, Photochromism, and Density Functional Theory Calculation
Authors of publication	Sarker, K. K.; Sardar, D.; Suwa, K.; Otsuki, J.; Sinha, C.
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Journal issue	20
Pages of publication	8291 - 8301
a	8.244 ± 0.002 Å
b	10.408 ± 0.003 Å
c	13.512 ± 0.004 Å
α	83.63 ± 0.03°
β	86.59 ± 0.03°
γ	65.35 ± 0.03°
Cell volume	1047.1 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0593
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.0957
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
179437 (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 4/33/34.	4333437.cif
99003	2014-01-30	cif/ Adding structures of 4333437 via cif-deposit CGI script.	4333437.cif