Crystallography Open Database

Information card for entry 7045411

Preview

Coordinates	7045411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H48 Cl2 Cu2 Mn N8 O4
Calculated formula	C44 H48 Cl2 Cu2 Mn N8 O4
SMILES	c12ccccc1C(C)=[N]1[Cu]3([N](CCC1)=Cc1ccccc1O3)[O]2[Mn](Cl)([O]1c2ccccc2C(C)=[N]2CCC[N]3=Cc4ccccc4O[Cu]123)Cl.N#CC.N#CC.N#CC.N#CC
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	27.37 ± 0.005 Å
b	10.066 ± 0.005 Å
c	19.407 ± 0.005 Å
α	90°
β	118.944 ± 0.005°
γ	90°
Cell volume	4679 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0811
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1132
Weighted residual factors for all reflections included in the refinement	0.1283
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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.	7045411.cif
205769	2018-01-27	cif/ Adding structures of 7045410, 7045411, 7045412, 7045413 via cif-deposit CGI script.	7045411.cif