Crystallography Open Database

Information card for entry 4504810

Preview

Coordinates	4504810.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Lithium 4-Br,2,6-Dimethylphenoxide Dioxolane
Formula	C22 H28 Br2 Li2 O6
Calculated formula	C22 H28 Br2 Li2 O6
Title of publication	Assembly of 63,66-Pillared Metal−Organic Bilayers and Diamondoid Lattices Using Molecular Li2O2Ring Dimers as Secondary Building Units
Authors of publication	Morris, J. Jacob; Noll, Bruce C.; Henderson, Kenneth W.
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	5
Pages of publication	1071
a	18.492 ± 0.0005 Å
b	18.492 ± 0.0005 Å
c	28.562 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	9766.9 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0239
Weighted residual factors for significantly intense reflections	0.0456
Weighted residual factors for all reflections included in the refinement	0.0472
Goodness-of-fit parameter for all reflections included in the refinement	0.986
Diffraction radiation probe	x-ray
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
179583 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/48.	4504810.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504810.cif
47554	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504810 via cif-deposit CGI script.	4504810.cif