Crystallography Open Database

Information card for entry 7006401

Preview

Coordinates	7006401.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H100 Li8 N8 O10
Calculated formula	C64 H100 Li8 N8 O10
Title of publication	Lithium-nitrogen and lithium-boron-nitrogen cage compounds formed using the phenylhydrazido backbone.
Authors of publication	Aspinall, Garreth M.; Copsey, May C.; Jeffery, John C.; Breakspear, Angela P.; Russell, Christopher A.; Slattery, John M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	9
Pages of publication	1234 - 1238
a	16.865 ± 0.002 Å
b	16.865 ± 0.002 Å
c	12.338 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3509.3 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	118
Hermann-Mauguin space group symbol	P -4 n 2
Hall space group symbol	P -4 -2n
Residual factor for all reflections	0.1201
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1569
Weighted residual factors for all reflections included in the refinement	0.1842
Goodness-of-fit parameter for all reflections included in the refinement	0.941
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179768 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/64.	7006401.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006401.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006401.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006401.cif