Crystallography Open Database

Information card for entry 7715579

Preview

Coordinates	7715579.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H120 Mn3 N6 O12
Calculated formula	C84 H120 Mn3 N6 O12
Title of publication	Field induced slow magnetic relaxation in a linear homotrinuclear manganese heterospin coordination compound with <i>S</i> = 7/2 ground state and intriguing spin density distribution.
Authors of publication	Shcherbakov, Igor N.; Krotkii, Ilya I.; Kazachkova, Victoria I.; Lyubchenko, Sergey N.; Efimov, Nikolay N.; Tsaturyan, Arshak A.; Lazarenko, Vladimir A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	16
Pages of publication	6860 - 6864
a	16.67 ± 0.002 Å
b	16.67 ± 0.002 Å
c	53.676 ± 0.011 Å
α	90°
β	90°
γ	120°
Cell volume	12918 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1212
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1312
Weighted residual factors for all reflections included in the refinement	0.1586
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.7527 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291632 (current)	2024-05-05	cif/ Updating files of 7715579 Original log message: Adding full bibliography for 7715579.cif.	7715579.cif
290721	2024-04-02	cif/ Adding structures of 7715579 via cif-deposit CGI script.	7715579.cif