Crystallography Open Database

Information card for entry 1514811

Preview

Coordinates	1514811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H20 Cl2 N4 Pd
Calculated formula	C10 H20 Cl2 N4 Pd
SMILES	[Pd](=C1N(CCN1C)C)(Cl)(Cl)=C1N(CCN1C)C
Title of publication	(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform
Authors of publication	Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	1
Pages of publication	77
a	8.9858 ± 0.0004 Å
b	12.0174 ± 0.0006 Å
c	13.4315 ± 0.0007 Å
α	90°
β	104.706 ± 0.003°
γ	90°
Cell volume	1402.9 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0297
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.0773
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514811.cif
110271	2014-04-18	cif/ Adding structures of 1514807, 1514808, 1514809, 1514810, 1514811, 1514812, 1514813 via cif-deposit CGI script.	1514811.cif