Crystallography Open Database

Information card for entry 2228369

Preview

Coordinates	2228369.cif
Structure factors	2228369.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	{2,2-Bis[(4<i>S</i>)-4-isopropyl-4,5-dihydro-1,3-oxazol-2- yl]propane}bis(<i>N</i>,<i>N</i>-dimethylformamide)copper(II) bis[hexafluoridoantimonate(V)]
Formula	C21 H40 Cu F12 N4 O4 Sb2
Calculated formula	C21 H40 Cu F12 N4 O4 Sb2
SMILES	C(N(C)C)=[O][Cu]1([F][Sb](F)(F)(F)(F)F)([F][Sb](F)(F)(F)(F)F)([N]2[C@@H](C(C)C)COC=2C(C)(C)C2=[N]1[C@H](CO2)C(C)C)[O]=CN(C)C
Title of publication	{2,2-Bis[(4<i>S</i>)-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]propane}bis(<i>N</i>,<i>N</i>-dimethylformamide)copper(II) bis[hexafluoridoantimonate(V)]
Authors of publication	Zeh, Julia; Möller, Melina; Strohmann, Carsten; Preut, Hans; Hiersemann, Martin
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	12
Pages of publication	m1688
a	9.7256 ± 0.0002 Å
b	15.2444 ± 0.0003 Å
c	23.204 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3440.25 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0394
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0365
Weighted residual factors for all reflections included in the refinement	0.0373
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
181204 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/83.	2228369.cif 2228369.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2228369.cif 2228369.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2228369.cif 2228369.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.	2228369.cif 2228369.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2228369.cif 2228369.hkl
11387	2011-02-15	hkl/: Adding Reflection data for the recently deposited IUCr-originating structures.	2228369.cif 2228369.hkl
5780	2011-01-06	../uploads/cif-deposit/cod/cif Adding structures of 2228362, 2228363, 2228364, 2228365, 2228366, 2228367, 2228368, 2228369, 2228370, 2228371 via cif-deposit CGI script.	2228369.cif