Crystallography Open Database

Information card for entry 7037383

Preview

Coordinates	7037383.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	dichlorido(tert-butyl tetraselenium triimide)palladium-dichlorido{(2-tert-butyl)-1,3-dichlorido-2-azy-1,3-diseleny-[2]caten}palladium-acetonitrile(1/1/1)
Formula	C18 H39 Cl6 N5 Pd2 Se6
Calculated formula	C18 H39 Cl6 N5 Pd2 Se6
SMILES	[Pd]1([Se]2N([Se]1N([Se][Se]N2C(C)(C)C)C(C)(C)C)C(C)(C)C)(Cl)Cl.[Pd]1([Se](Cl)N([Se]1Cl)C(C)(C)C)(Cl)Cl.N#CC
Title of publication	The role of imidoselenium(ii) chlorides in the formation of cyclic selenium imides via cyclocondensation.
Authors of publication	Karhu, Aino J.; Pakkanen, Olli J.; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Chivers, Tristram; Laitinen, Risto S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	14
Pages of publication	6210 - 6221
a	13.627 ± 0.003 Å
b	14.72 ± 0.003 Å
c	18.67 ± 0.004 Å
α	90°
β	101.52 ± 0.03°
γ	90°
Cell volume	3669.6 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0789
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.1231
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
181711 (current)	2016-04-05	cif/ Updating files of 7037381, 7037382, 7037383 Original log message: Adding full bibliography for 7037381--7037383.cif.	7037383.cif
170493	2015-11-24	cif/ Adding structures of 7037381, 7037382, 7037383 via cif-deposit CGI script.	7037383.cif