Crystallography Open Database

Information card for entry 7028548

Preview

Coordinates	7028548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 Cu2 Mn N6 O6
Calculated formula	C36 H32 Cu2 Mn N6 O6
SMILES	c12ccccc1C=[N]1[Cu]34[O]2[Mn]2([O]5[Cu]67[N](=Cc8c5cccc8)CCC[N]6=Cc5c(cccc5)[O]27)(N=C=O)(N=C=O)[O]4c2ccccc2C=[N]3CCC1
Title of publication	Trinuclear heterometallic Cu(II)-Mn(II) complexes of a salen type Schiff base ligand: anion dependent variation of phenoxido bridging angles and magnetic coupling.
Authors of publication	Seth, Piya; Ghosh, Soumavo; Figuerola, Albert; Ghosh, Asutosh
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	3
Pages of publication	990 - 998
a	10.0774 ± 0.0017 Å
b	11.887 ± 0.002 Å
c	13.945 ± 0.002 Å
α	92.246 ± 0.002°
β	100.84 ± 0.002°
γ	91.095 ± 0.002°
Cell volume	1638.8 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0576
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
179991 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/85.	7028548.cif
105360	2014-03-12	cif/ Adding structures of 7028546, 7028547, 7028548, 7028549, 7028550 via cif-deposit CGI script.	7028548.cif