Crystallography Open Database

Information card for entry 7064370

Preview

Coordinates	7064370.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H34 Cl2 Mn2 N4 O2
Calculated formula	C28 H34 Cl2 Mn2 N4 O2
Title of publication	Transmetalated synthesis of homodinuclear MnII and CoII complexes containing Robson type macrocyclic ligands: crystal structure, magnetic investigation and DFT calculations
Authors of publication	Pramanik, Abhishek; Majumder, Samit; Hazra, Susanta; Mohanta, Sasankasekhar
Journal of publication	New Journal of Chemistry
Year of publication	2026
Journal volume	50
Journal issue	20
Pages of publication	8802 - 8813
a	9.7907 ± 0.0006 Å
b	11.778 ± 0.0007 Å
c	13.208 ± 0.0008 Å
α	90°
β	110.505 ± 0.002°
γ	90°
Cell volume	1426.58 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0668
Weighted residual factors for all reflections included in the refinement	0.0725
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
306469 (current)	2026-06-05	cif/ Updating files of 7064369, 7064370 Original log message: Adding full bibliography for 7064369--7064370.cif.	7064370.cif
305475	2026-04-08	cif/ Adding structures of 7064369, 7064370 via cif-deposit CGI script.	7064370.cif