Crystallography Open Database

Information card for entry 7000190

Preview

Coordinates	7000190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H30 Cl3 Cr2 N3 O6
Calculated formula	C18 H30 Cl3 Cr2 N3 O6
SMILES	[Cr]123([O](CC4OCC([N]5=4)(C)C)[Cr]56([O]1CC1OCC([N]3=1)(C)C)([O]2CC1OCC([N]6=1)(C)C)Cl)(Cl)Cl
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	8.7526 ± 0.0002 Å
b	14.4126 ± 0.0005 Å
c	19.5866 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2470.8 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0497
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0696
Weighted residual factors for all reflections included in the refinement	0.0736
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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.	7000190.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000190.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000190.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000190.cif