Crystallography Open Database

Information card for entry 7705913

Preview

Coordinates	7705913.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H52 F18 N10 Ni2 O16
Calculated formula	C44 H52 F18 N10 Ni2 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	18.0444 ± 0.0015 Å
b	13.4321 ± 0.0011 Å
c	25.498 ± 0.002 Å
α	90°
β	100.226 ± 0.002°
γ	90°
Cell volume	6081.9 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0625
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1214
Weighted residual factors for all reflections included in the refinement	0.1313
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
259706 (current)	2020-12-09	cif/ Adding structures of 7705912, 7705913, 7705914, 7705915, 7705916 via cif-deposit CGI script.	7705913.cif