Crystallography Open Database

Information card for entry 7061030

Preview

Coordinates	7061030.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H27 Cl Cu F12 N2 O6
Calculated formula	C36 H27 Cl Cu F12 N2 O6
Title of publication	Field supported slow magnetic relaxation in a quasi-one-dimensional copper(ii) complex with a pentaheterocyclic triphenodioxazine
Authors of publication	Korchagin, D. V.; Ivakhnenko, E. P.; Demidov, O. P.; Akimov, A. V.; Morgunov, R. B.; Starikov, A. G.; Palii, A. V.; Minkin, V. I.; Aldoshin, S. M.
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	46
Pages of publication	21912 - 21918
a	9.4631 ± 0.0002 Å
b	13.7164 ± 0.0003 Å
c	15.5325 ± 0.0003 Å
α	91.745 ± 0.002°
β	97.906 ± 0.002°
γ	105.7 ± 0.002°
Cell volume	1917.6 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0621
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1263
Weighted residual factors for all reflections included in the refinement	0.1404
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
271196 (current)	2021-12-07	cif/ Updating files of 7061030 Original log message: Adding full bibliography for 7061030.cif.	7061030.cif
270172	2021-10-30	cif/ Adding structures of 7061030 via cif-deposit CGI script.	7061030.cif