Crystallography Open Database

Information card for entry 7028104

Preview

Coordinates	7028104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H108 Li6 N8 O
Calculated formula	C52 H108 Li6 N8 O
SMILES	[O]12345[Li]67[N]8([Li]92[N]6(=C8CCCC)([Li]23N9(=C([N]2([Li]21[N]1([Li]35[N]2(=C1CCCC)([Li]14N3(=C([N]71C(C)(C)C)CCCC)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)CCCC)C(C)(C)C)C(C)(C)C)C(C)(C)C
Title of publication	A sandwich complex of lithium oxide: {Li[Bu^n^C(NBu^t^)~2~]}~4~×Li~2~O
Authors of publication	Chivers, Tristram; Downard, Andrew; Yap, Glenn P. A.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1998
Journal issue	16
Pages of publication	2603
a	10.137 ± 0.003 Å
b	14.205 ± 0.004 Å
c	21.961 ± 0.006 Å
α	91.718 ± 0.005°
β	103.207 ± 0.005°
γ	101.442 ± 0.005°
Cell volume	3008.1 ± 1.5 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	223 ± 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	0.1711
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.0821
Weighted residual factors for all reflections included in the refinement	0.0891
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
179987 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/81.	7028104.cif
132064	2015-02-19	cif/7/02/81/ (antanas@koala.ibt.lt) Fixing publication title for CIF 7028104.	7028104.cif
97593	2014-01-29	cif/ Adding structures of 7028104 via cif-deposit CGI script.	7028104.cif