Crystallography Open Database

Information card for entry 7011741

Preview

Coordinates	7011741.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	aw0121
Formula	C34 H43 Li N4 O2 Zn
Calculated formula	C34 H43 Li N4 O2 Zn
Title of publication	Oxygen scavenging by lithium zincates: the synthesis, structural characterisation and derivatisation of [Ph(2-C5H4N)N]2ZnRLi??nthf (R = But, Bun; n = 1, 2)
Authors of publication	Boss, Sally R.; Haigh, Robert; Linton, David J.; Wheatley, Andrew E. H.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	16
Pages of publication	3129
a	12.3776 ± 0.0007 Å
b	18.8123 ± 0.0006 Å
c	14.0799 ± 0.0008 Å
α	90°
β	100.231 ± 0.002°
γ	90°
Cell volume	3226.4 ± 0.3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1057
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.0863
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7011741.cif
179821	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 7/01/17.	7011741.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011741.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011741.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011741.cif