Crystallography Open Database

Information card for entry 7114940

Preview

Coordinates	7114940.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Alkoxid-Li3-Dianion
Formula	C20 H45 Li3 O P6
Calculated formula	C20 H45 Li3 O P6
SMILES	[P]1([Li]23[P](C4[Li]56[P](CC7([O]26[Li]2([P](C7)(C)C)[P](C3C4=[CH]2[P]5(C)C)(C)C)C1)(C)C)(C)C)(C)C
Title of publication	A multidentate phosphinoalkoxide ligand as a building block in mixed polylithium aggregates
Authors of publication	Feustel, Alexander; Müller, Gerhard
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	11
Pages of publication	1024
a	9.0869 ± 0.0019 Å
b	11.851 ± 0.002 Å
c	15.175 ± 0.003 Å
α	81.323 ± 0.007°
β	89.812 ± 0.007°
γ	73.27 ± 0.02°
Cell volume	1545.7 ± 0.5 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1132
Weighted residual factors for all reflections included in the refinement	0.1195
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
180263 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/49.	7114940.cif
118434	2014-06-30	cif/ Adding structures of 7114939, 7114940 via cif-deposit CGI script.	7114940.cif