Crystallography Open Database

Information card for entry 7011989

7011988 << 7011989 >> 7011990

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Coordinates	7011989.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[C6H4{CH2N(Li)C6H3iPr2}2]
Formula	C64 H84 Li4 N4
Calculated formula	C64 H84 Li4 N4
SMILES	[Li]1[N]2(c3c(C(C)C)cccc3C(C)C)Cc3cc(ccc3)C[N](c3c(cccc3C(C)C)C(C)C)([Li]3)[Li][N]3(c3c(C(C)C)cccc3C(C)C)Cc3cc(ccc3)C[N]1(c1c(cccc1C(C)C)C(C)C)[Li]2
Title of publication	Synthesis and structures of dinuclear low-coordinate lithium and zirconium(IV) complexes derived from the diamido ligands 1,3-(CH2C6H3R12)2C6H4(R1= Me or Pri)
Authors of publication	Stéphane Daniele; Peter B. Hitchcock; Michael F. Lappert; Terence A. Nile; Colette M. Zdanski
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2002
Journal issue	21
Pages of publication	3980 - 3984
a	21.045 ± 0.006 Å
b	15.874 ± 0.003 Å
c	18.651 ± 0.003 Å
α	90°
β	115.79 ± 0.02°
γ	90°
Cell volume	5610 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0794
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1037
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
179823 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/19.	7011989.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011989.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011989.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7011989.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011989.cif