Crystallography Open Database

Information card for entry 7702978

Preview

Coordinates	7702978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H42 Cl2 Cu2 Mn2 N4 O10
Calculated formula	C48 H42 Cl2 Cu2 Mn2 N4 O10
SMILES	[Cu]1234[O]5[Mn]67([Cl][Cu]89%10[O]%11[Mn]%12%13([Cl]4)([O]%10c4c(cccc4C=[N]9CC[N]8=Cc4c%11cccc4)[O]%12C)[O]=C(c4ccccc4)O%13)([O]3c3c(cccc3C=[N]2CC[N]1=Cc1c5cccc1)[O]6C)[O]=C(c1ccccc1)O7
Title of publication	Facile synthesis of a new Cu(ii) complex with an unsymmetrical ligand and its use as an O<sub>3</sub> donor metalloligand in the synthesis of Cu(ii)-Mn(ii) complexes: structures, magnetic properties, and catalytic oxidase activities.
Authors of publication	Dutta, Sabarni; Mayans, Júlia; Ghosh, Ashutosh
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	4
Pages of publication	1276 - 1291
a	9.7423 ± 0.0006 Å
b	10.1101 ± 0.0006 Å
c	11.7562 ± 0.0006 Å
α	92.292 ± 0.003°
β	90.616 ± 0.002°
γ	92.587 ± 0.003°
Cell volume	1155.74 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0744
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1556
Weighted residual factors for all reflections included in the refinement	0.17
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
247713 (current)	2020-02-04	cif/ Updating files of 7702975, 7702976, 7702977, 7702978 Original log message: Adding full bibliography for 7702975--7702978.cif.	7702978.cif
245296	2019-12-18	cif/ Adding structures of 7702975, 7702976, 7702977, 7702978 via cif-deposit CGI script.	7702978.cif