Crystallography Open Database

Information card for entry 1514808

Preview

Coordinates	1514808.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H13 Cl2 N2 P
Calculated formula	C6 H13 Cl2 N2 P
SMILES	C1(N(CCN1C)C)=P(C)(Cl)Cl
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	7.768 ± 0.002 Å
b	12.985 ± 0.003 Å
c	19.423 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1959.1 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0845
Weighted residual factors for all reflections included in the refinement	0.0879
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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.	1514808.cif
110271	2014-04-18	cif/ Adding structures of 1514807, 1514808, 1514809, 1514810, 1514811, 1514812, 1514813 via cif-deposit CGI script.	1514808.cif