Crystallography Open Database

Information card for entry 7705916

Preview

Coordinates	7705916.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H60 F18 Mn2 N10 O16
Calculated formula	C51 H60 F18 Mn2 N10 O16
Title of publication	A black-box approach to the construction of metal-radical multispin systems and analysis of their magnetic properties.
Authors of publication	Kadilenko, E. M.; Gritsan, N. P.; Tretyakov, E. V.; Fokin, S. V.; Romanenko, G. V.; Bogomyakov, A. S.; Gorbunov, D. E.; Schollmeyer, D.; Baumgarten, M.; Ovcharenko, V. I.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	46
Pages of publication	16916 - 16927
a	13.1606 ± 0.0005 Å
b	17.1459 ± 0.0006 Å
c	30.5349 ± 0.0012 Å
α	90°
β	101.112 ± 0.002°
γ	90°
Cell volume	6761 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1625
Weighted residual factors for all reflections included in the refinement	0.1702
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
259706 (current)	2020-12-09	cif/ Adding structures of 7705912, 7705913, 7705914, 7705915, 7705916 via cif-deposit CGI script.	7705916.cif