Crystallography Open Database

Information card for entry 4309225

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Coordinates	4309225.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C181 H180 Cd17 P2 S30
Calculated formula	C181 Cd17 P2 S30
SMILES	[Cd]123[S]45[Cd]67[S]89[Cd]%10%11[S]([Cd]%12%13S%147[Cd]7%15[S]([Cd]%169[S]([Cd]([S]%10c9ccccc9)([S]([Cd]98[S]([Cd]4([S]([Cd]4(S86[Cd]([S]2c2ccccc2)([S]([Cd]%14([S]1c1ccccc1)[S]([Cd]([S]%13c1ccccc1)([S]%15c1ccccc1)[P](CCC)(CCC)CCC)c1ccccc1)c1ccccc1)[S]([Cd]([S]([Cd]8([S]%16c1ccccc1)[S]7c1ccccc1)c1ccccc1)([S]4c1ccccc1)[P](CCC)(CCC)CCC)c1ccccc1)[S]9c1ccccc1)c1ccccc1)[S]([Cd]([S]([Cd]5([S]%11c1ccccc1)[S]%12c1ccccc1)c1ccccc1)([S]3c1ccccc1)Sc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)Sc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.c1(ccccc1)C
Title of publication	Controlled Synthesis of Ternary II-II'-VI Nanoclusters and the Effects of Metal Ion Distribution on Their Spectral Properties
Authors of publication	Marty W. DeGroot; Nicholas J. Taylor; John F. Corrigan
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	5447 - 5458
a	34.2588 ± 0.0018 Å
b	35.9324 ± 0.0019 Å
c	35.1 ± 0.002 Å
α	90°
β	90.239 ± 0.002°
γ	90°
Cell volume	43208 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.1563
Residual factor for significantly intense reflections	0.1067
Weighted residual factors for significantly intense reflections	0.2538
Weighted residual factors for all reflections included in the refinement	0.2758
Goodness-of-fit parameter for all reflections included in the refinement	1.328
Diffraction radiation probe	x-ray
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4309225.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309225.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309225.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).	4309225.cif