Crystallography Open Database

Information card for entry 7036329

Preview

Coordinates	7036329.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-chloro-N,N-diethyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)phosphanamine
Formula	C15 H32 Cl N2 P
Calculated formula	C15 H32 Cl N2 P
SMILES	P(Cl)(N1C(CCCC1(C)C)(C)C)N(C(C)C)C(C)C
Title of publication	On the energetics of P-P bond dissociation of sterically strained tetraamino-diphosphanes.
Authors of publication	Blum, M.; Puntigam, O.; Plebst, S.; Ehret, F.; Bender, J.; Nieger, M.; Gudat, D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	5
Pages of publication	1987 - 1997
a	10.3991 ± 0.0005 Å
b	12.2633 ± 0.0006 Å
c	13.9503 ± 0.0008 Å
α	90°
β	97.325 ± 0.002°
γ	90°
Cell volume	1764.52 ± 0.16 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0422
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
176074 (current)	2016-02-05	cif/ Updating files of 7036329, 7036330, 7036331 Original log message: Adding full bibliography for 7036329--7036331.cif.	7036329.cif
153781	2015-08-29	cif/ Adding structures of 7036329, 7036330, 7036331 via cif-deposit CGI script.	7036329.cif