Crystallography Open Database

Information card for entry 7000191

Preview

Coordinates	7000191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H40 Cl4 Cr2 N2 O6
Calculated formula	C20 H40 Cl4 Cr2 N2 O6
SMILES	C1(C2=[N](C(CO2)(C)C)[Cr]2([O]1[Cr]1([N]3=C(C(C)(C)[O]21)OCC3(C)C)([OH]CC)(Cl)Cl)([OH]CC)(Cl)Cl)(C)C
Title of publication	Synthesis, structure, magnetic and catalytic properties of new dinuclear chromium(iii) complexes with oxazoline alcoholate ligands
Authors of publication	Jie, Suyun; Pattacini, Roberto; Rogez, Guillaume; Loose, Claudia; Kortus, Jens; Braunstein, Pierre
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	1
Pages of publication	97 - 105
a	19.481 ± 0.0007 Å
b	9.5507 ± 0.0003 Å
c	16.9528 ± 0.0007 Å
α	90°
β	113.479 ± 0.002°
γ	90°
Cell volume	2893.04 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.054
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.1022
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
179679 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/01.	7000191.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000191.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000191.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000191.cif