Crystallography Open Database

Information card for entry 1546727

Preview

Structure parameters

Common name	Bis{<i>N</i>-[(4-dimethylamino)phenyl]-3,5-di-<i>tert</i>-butylsalicylaldiminato}cobalt(II)
Chemical name	Bis(2,4-di-<i>tert</i>-butyl-6-{<i>N</i>-[4-(dimethylamino)phenyl]\ carboximidoyl}phenolato)cobalt(II)
Formula	C46 H62 Co N4 O2
Calculated formula	C46 H62 Co N4 O2
SMILES	[Co]12(Oc3c(cc(cc3C=[N]1c1ccc(N(C)C)cc1)C(C)(C)C)C(C)(C)C)Oc1c(cc(cc1C=[N]2c1ccc(N(C)C)cc1)C(C)(C)C)C(C)(C)C
Title of publication	Bis{3,5-di-<i>tert</i>-butyl-<i>N</i>-[(4-dimethylamino)phenyl]salicylaldiminato}cobalt(II)
Authors of publication	Rani, C. Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G.
Journal of publication	IUCrData
Year of publication	2017
Journal volume	2
Journal issue	4
Pages of publication	x170525
a	11.5598 ± 0.0003 Å
b	13.3787 ± 0.0004 Å
c	17.3035 ± 0.0005 Å
α	111.756 ± 0.001°
β	96.694 ± 0.002°
γ	98.293 ± 0.001°
Cell volume	2417.01 ± 0.12 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0878
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1634
Weighted residual factors for all reflections included in the refinement	0.175
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
199323 (current)	2017-07-25	cif/ hkl/ Adding structures of 1546727 via cif-deposit CGI script.	1546727.cif 1546727.hkl