Crystallography Open Database

Information card for entry 7045410

Preview

Coordinates	7045410.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36 Cl4 Cu2 Mn2 N4 O4
Calculated formula	C36 H36 Cl4 Cu2 Mn2 N4 O4
SMILES	c12ccccc1C(C)=[N]1[Cu]34[O]2[Mn]2(Cl)([O]3c3ccccc3C=[N]4CCC1)[Cl][Mn]1([O]3c4ccccc4C(C)=[N]4CCC[N]5=Cc6ccccc6[O]1[Cu]345)(Cl)[Cl]2
Title of publication	Control of nuclearity in heterometallic Cu<sup>II</sup>-Mn<sup>II</sup> complexes derived from asymmetric Schiff bases: structures and magnetic properties.
Authors of publication	Mahapatra, Prithwish; Giri, Sanjib; Drew, Michael G. B.; Ghosh, Ashutosh
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	10
Pages of publication	3568 - 3579
a	9.946 ± 0.003 Å
b	11.53 ± 0.007 Å
c	11.732 ± 0.004 Å
α	108.443 ± 0.006°
β	113.238 ± 0.004°
γ	96.187 ± 0.006°
Cell volume	1130.2 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0908
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections included in the refinement	0.931
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
229237 (current)	2019-11-17	cif/ Updating files of 7045410, 7045411, 7045412, 7045413 Original log message: Adding full bibliography for 7045410--7045413.cif.	7045410.cif
205769	2018-01-27	cif/ Adding structures of 7045410, 7045411, 7045412, 7045413 via cif-deposit CGI script.	7045410.cif