Crystallography Open Database

Information card for entry 7226479

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Structure parameters

Formula	C80 H72 Mn2 N6 O12
Calculated formula	C80 H72 Mn2 N6 O12
Title of publication	A new chiral dimanganese(III) complex: synthesis, crystal structure, spectroscopic, magnetic, and catalytic properties
Authors of publication	Andruh, Marius; Dinca, Alina Simona; Candu, Natalia; Julve, Miguel; Lloret, Francesc; Sova, Sergiu; Parvulescu, Vasile i
Journal of publication	RSC Adv.
Year of publication	2016
a	11.5762 ± 0.0002 Å
b	24.1976 ± 0.0004 Å
c	24.6149 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6895 ± 0.2 Å³
Cell temperature	200 ± 0.1 K
Ambient diffraction temperature	200 ± 0.1 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0532
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.0995
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7226479.cif
186216	2016-09-06	cif/ Adding structures of 7226479, 7226480 via cif-deposit CGI script.	7226479.cif