Crystallography Open Database

Information card for entry 4504809

Preview

Coordinates	4504809.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Lithium 4-Br-2,6-Dimethylphenoxide Dioxane
Formula	C50 H68 Br4 Li4 O13
Calculated formula	C50 H68 Br4 Li4 O13
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	10.7494 ± 0.0002 Å
b	12.7727 ± 0.0003 Å
c	22.2935 ± 0.0005 Å
α	95.936 ± 0.001°
β	97.949 ± 0.001°
γ	111.018 ± 0.001°
Cell volume	2790.74 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0343
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0657
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
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
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.	4504809.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504809.cif
47553	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504809 via cif-deposit CGI script.	4504809.cif