Crystallography Open Database

Information card for entry 7012380

Preview

Coordinates	7012380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C205 H260 Li8 N8 O16.5 Zn4
Calculated formula	C205.5 H216 Li8 N8 O16 Zn4
Title of publication	New motifs in lithium zincate chemistry: a solid-state structural study of PhC(O)N(R)ZnR'2Li·2thf (R, R' = alkyl, aryl) and [PhC(O)N(Ph)Li·thf]·[PhC(O)N(Ph)Zn(But)2Li·thf]
Authors of publication	Boss, Sally R.; Haigh, Robert; Linton, David J.; Schooler, Paul; Shields, Gregory P.; Wheatley, Andrew E. H.
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	5
Pages of publication	1001
a	21.937 ± 0.004 Å
b	24.142 ± 0.005 Å
c	24.51 ± 0.005 Å
α	72.69 ± 0.03°
β	87.39 ± 0.03°
γ	64.56 ± 0.03°
Cell volume	11140 ± 5 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1484
Residual factor for significantly intense reflections	0.0949
Weighted residual factors for significantly intense reflections	0.2549
Weighted residual factors for all reflections included in the refinement	0.2991
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7012380.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012380.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012380.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012380.cif