Crystallography Open Database

Information card for entry 7036436

Preview

Coordinates	7036436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H42 Cl4 Co3 N11 O4
Calculated formula	C42 H42 Cl4 Co3 N11 O4
SMILES	[Co]1(Cl)(Cl)[n]2ccccc2N2[Co]3456[n]7c(C(=O)N4c4[n]([Co](Cl)(Cl)[n]8c(N5C(=O)c5[n]3c(ccc5)C2=O)cccc8)cccc4)cccc7C(=O)N6c2[n]1cccc2.CC[N+](CC)(CC)CC
Title of publication	Trinuclear {Co(2+)-M(3+)-Co(2+)} complexes catalyze reduction of nitro compounds.
Authors of publication	Srivastava, Sumit; Dagur, Manvender S.; Ali, Afsar; Gupta, Rajeev
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	40
Pages of publication	17453 - 17461
a	12.048 ± 0.003 Å
b	14.749 ± 0.004 Å
c	15.152 ± 0.004 Å
α	89.745 ± 0.004°
β	72.994 ± 0.004°
γ	84.012 ± 0.005°
Cell volume	2559.7 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.121
Residual factor for significantly intense reflections	0.0765
Weighted residual factors for significantly intense reflections	0.1956
Weighted residual factors for all reflections included in the refinement	0.2195
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
161880 (current)	2015-10-09	cif/ Updating files of 7036436, 7036437 Original log message: Adding full bibliography for 7036436--7036437.cif.	7036436.cif
155488	2015-09-09	cif/ Adding structures of 7036436, 7036437 via cif-deposit CGI script.	7036436.cif