Crystallography Open Database

Information card for entry 7052464

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Coordinates	7052464.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Li{N(2,6-iPr2C6H3)C(H)N(2,6-iPr2C6H3)}(PMDETA)]
Formula	C34 H58 Li N5
Calculated formula	C34 H58 Li N5
SMILES	N1(c2c(cccc2C(C)C)C(C)C)C=[N](c2c(cccc2C(C)C)C(C)C)[Li]231[N](C)(C)CC[N]3(C)CC[N]2(C)C
Title of publication	Bulky formamidinate complexes of lithium: the first examples of η2:η1-CN,N′ metal amidinate coordination
Authors of publication	Cole, Marcus L.; Davies, Aaron J.; Jones, Cameron; Junk, Peter C.
Journal of publication	New Journal of Chemistry
Year of publication	2005
Journal volume	29
Journal issue	11
Pages of publication	1404
a	11.7197 ± 0.0002 Å
b	16.5509 ± 0.0002 Å
c	17.5383 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3401.93 ± 0.09 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1003
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1114
Goodness-of-fit parameter for all reflections included in the refinement	0.963
Diffraction radiation probe	x-ray
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
180078 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/24.	7052464.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052464.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052464.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7052464.cif