Crystallography Open Database

Information card for entry 2242766

Preview

Coordinates	2242766.cif
Structure factors	2242766.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis{(<i>E</i>)-4-[4-(diethylamino)styryl]-1-methylpyridin-1-ium} tetraiodidocadmium(II)
Formula	C36 H46 Cd I4 N4
Calculated formula	C36 H46 Cd I4 N4
SMILES	I[Cd](I)([I-])[I-].[n+]1(C)ccc(cc1)/C=C/c1ccc(N(CC)CC)cc1.[n+]1(C)ccc(cc1)/C=C/c1ccc(N(CC)CC)cc1
Title of publication	Crystal structures of two stilbazole derivatives: bis{(<i>E</i>)-4-[4-(diethylamino)styryl]-1-methylpyridin-1-ium} tetraiodidocadmium(II) and (<i>E</i>)-4-[4-(diethylamino)styryl]-1-methylpyridin-1-ium 4-methoxybenzenesulfonate monohydrate
Authors of publication	Antony, Priya; Inglebert, S. Antony; Ramaclus, Jerald V.; Sundaram, S. John; Sagayaraj, P.
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	12
Pages of publication	1891 - 1894
a	21.6649 ± 0.0018 Å
b	14.9748 ± 0.0012 Å
c	14.9744 ± 0.0011 Å
α	90°
β	123.621 ± 0.002°
γ	90°
Cell volume	4045.4 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1083
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.091
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
212314 (current)	2018-12-04	cif/ hkl/ Adding structures of 2242766, 2242767 via cif-deposit CGI script.	2242766.cif 2242766.hkl