Crystallography Open Database

Information card for entry 2236047

Preview

Coordinates	2236047.cif
Structure factors	2236047.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(1,2-dimethoxyethane)-1κ^2^<i>O</i>,<i>O</i>';3κ^2^<i>O</i>,<i>O</i>'- tetrakis(μ-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olato)- 1:2κ^4^<i>O</i>:<i>O</i>;2:3κ^4^<i>O</i>:<i>O</i>-1,3-dilithium-2-magnesium
Formula	C24 H32 F24 Li2 Mg O8
Calculated formula	C24 H32 F24 Li2 Mg O8
SMILES	C(C)(C(F)(F)F)(C(F)(F)F)[O]1[Mg]([O](C(C(F)(F)F)(C)C(F)(F)F)[Li]12[O](C)CC[O]2C)([O]1C(C)(C(F)(F)F)C(F)(F)F)[O](C(C)(C(F)(F)F)C(F)(F)F)[Li]12[O](C)CC[O]2C
Title of publication	Bis(1,2-dimethoxyethane)-1κ^2^<i>O</i>,<i>O</i>';3κ^2^<i>O</i>,<i>O</i>'-tetrakis(μ-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olato)-1:2κ^4^<i>O</i>:<i>O</i>;2:3κ^4^<i>O</i>:<i>O</i>-1,3-dilithium-2-magnesium
Authors of publication	Wurst, Klaus; Buchmeiser, Michael R.
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	8
Pages of publication	m1106
a	23.8629 ± 0.0004 Å
b	9.5396 ± 0.0006 Å
c	18.37 ± 0.0007 Å
α	90°
β	109.041 ± 0.002°
γ	90°
Cell volume	3953 ± 0.3 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0686
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181282 (current)	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/60.	2236047.cif 2236047.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2236047.cif 2236047.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2236047.cif 2236047.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2236047.cif 2236047.hkl
66590	2012-09-11	hkl/ Adding assigned .htl files for the most recent IUCr data depositions.	2236047.cif 2236047.hkl
66136	2012-09-06	cif/ Adding structures of 2236047 via cif-deposit CGI script.	2236047.cif