Crystallography Open Database

Information card for entry 7016682

Preview

Coordinates	7016682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H29 Cl2 Co N5 O4
Calculated formula	C27 H29 Cl2 Co N5 O4
SMILES	[Co]1234(Cl)[N](Cc5[n]2cccc5)(CC[N]1(Cc1[n]3cccc1)Cc1ccccc1)Cc1[n]4cccc1.Cl(=O)(=O)(=O)[O-]
Title of publication	Switching on oxygen activation by cobalt complexes of pentadentate ligands.
Authors of publication	Vad, Mads S.; Nielsen, Anne; Lennartson, Anders; Bond, Andrew D.; McGrady, John E.; McKenzie, Christine J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	40
Pages of publication	10698 - 10707
a	16.36 ± 0.0012 Å
b	17.821 ± 0.001 Å
c	18.0306 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	5256.8 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0638
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0686
Weighted residual factors for all reflections included in the refinement	0.0774
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
179870 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/66.	7016682.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7016682.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7016682.cif
28048	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7016681, 7016682, 7016683, 7016684, 7016685 via cif-deposit CGI script.	7016682.cif