Crystallography Open Database

Information card for entry 7036331

Preview

Coordinates	7036331.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N^1^,N^1^,N^2^,N^2^-tetraisopropyl-1,2-bis(2,2,6,6-tetramethylpiperidin-1-yl)-diphosphane-1,2-diamine
Formula	C30 H64 N4 P2
Calculated formula	C30 H64 N4 P2
SMILES	P(N1C(CCCC1(C)C)(C)C)(N(C(C)C)C(C)C)P(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	16.522 ± 0.002 Å
b	17.526 ± 0.002 Å
c	11.2185 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	3248.5 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.1469
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1229
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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.	7036331.cif
153781	2015-08-29	cif/ Adding structures of 7036329, 7036330, 7036331 via cif-deposit CGI script.	7036331.cif