Crystallography Open Database

Information card for entry 7709229

Preview

Coordinates	7709229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H67 Cl2 Cu3 Mn N6 O24
Calculated formula	C56 H67 Cl2 Cu3 Mn N6 O24
Title of publication	Quasi-isotropic SMMs: slow relaxation of the magnetization in polynuclear Cu<sup>II</sup>/Mn<sup>II</sup> complexes.
Authors of publication	Pilichos, Evangelos; Bhunia, Pradip; Font-Bardia, Mercè; Ghosh, Ashutosh; Mayans, Júlia; Escuer, Albert
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	5
Pages of publication	1779 - 1783
a	15.4787 ± 0.0006 Å
b	22.7556 ± 0.0009 Å
c	17.7148 ± 0.0007 Å
α	90°
β	97.002 ± 0.001°
γ	90°
Cell volume	6193.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.079
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1099
Weighted residual factors for all reflections included in the refinement	0.1315
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
272680 (current)	2022-02-04	cif/ Updating files of 7709229, 7709230, 7709231 Original log message: Adding full bibliography for 7709229--7709231.cif.	7709229.cif
271820	2022-01-06	cif/ Adding structures of 7709229, 7709230, 7709231 via cif-deposit CGI script.	7709229.cif