Crystallography Open Database

Information card for entry 4309350

Preview

Coordinates	4309350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 Cd N2 S2
Calculated formula	C18 H26 Cd N2 S2
SMILES	[Cd]1(Sc2ccccc2)(Sc2ccccc2)[N](C)(C)CC[N]1(C)C
Title of publication	Stabilization of the Thermodynamically Favored Polymorph of Cadmium Chalcogenide Nanoparticles CdX (X = S, Se, Te) in the Polar Mesopores of SBA-15 Silica
Authors of publication	Maekele Yosef; Andreas K. Schaper; Michael Fröba; Sabine Schlecht
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	5890 - 5896
a	13.0297 ± 0.001 Å
b	11.2005 ± 0.0011 Å
c	14.3847 ± 0.0011 Å
α	90°
β	114.023 ± 0.008°
γ	90°
Cell volume	1917.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0538
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0492
Weighted residual factors for all reflections included in the refinement	0.0532
Goodness-of-fit parameter for all reflections included in the refinement	0.831
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
179131 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/93.	4309350.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309350.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309350.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309350.cif