Crystallography Open Database

Information card for entry 7709231

Preview

Coordinates	7709231.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H80 Cl2 Cu4 Mn2 N20 Na2 O26
Calculated formula	C74 H80 Cl2 Cu4 Mn2 N20 Na2 O26
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	12.35 ± 0.0006 Å
b	13.0272 ± 0.0007 Å
c	13.9308 ± 0.0007 Å
α	107.897 ± 0.002°
β	91.793 ± 0.002°
γ	94.147 ± 0.002°
Cell volume	2123.85 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0889
Weighted residual factors for all reflections included in the refinement	0.0927
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	7709231.cif
271820	2022-01-06	cif/ Adding structures of 7709229, 7709230, 7709231 via cif-deposit CGI script.	7709231.cif