Crystallography Open Database

Information card for entry 4115404

Preview

Coordinates	4115404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H66 Li2 N2 O8 P2
Calculated formula	C48 H66 Li2 N2 O8 P2
Title of publication	[Li{CH(Me)P(Ph)2(NCO2Me)}2(THF)2]: Crystal, Solution, and Calculated Structure of aN-Delocalized Lithium Phosphazene
Authors of publication	Ignacio Fernández; Julia María Álvarez Gutíerrez; Nikolaus Kocher; Dirk Leusser; Dietmar Stalke; Javier González; Fernando López Ortiz
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	15184 - 15185
a	13.435 ± 0.003 Å
b	16.162 ± 0.003 Å
c	10.858 ± 0.002 Å
α	90°
β	100.46 ± 0.003°
γ	90°
Cell volume	2318.5 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0821
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1527
Weighted residual factors for all reflections included in the refinement	0.1691
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178925 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/54.	4115404.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115404.cif
68875	2012-11-21	cif/ Adding structures of 4115404 via cif-deposit CGI script.	4115404.cif