Crystallography Open Database

Information card for entry 7230625

Preview

Coordinates	7230625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H46 F12 Mn N6 O6
Calculated formula	C40 H46 F12 Mn N6 O6
Title of publication	Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)
Authors of publication	Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	21
Pages of publication	2961
a	16.6043 ± 0.0006 Å
b	26.0628 ± 0.0011 Å
c	10.8332 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4688.1 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1058
Residual factor for significantly intense reflections	0.0876
Weighted residual factors for significantly intense reflections	0.2445
Weighted residual factors for all reflections included in the refinement	0.265
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
229114 (current)	2019-11-17	cif/ Updating files of 7230622, 7230623, 7230624, 7230625, 7230626, 7230627 Original log message: Adding full bibliography for 7230622--7230627.cif.	7230625.cif
207738	2018-05-11	cif/ Adding structures of 7230622, 7230623, 7230624, 7230625, 7230626, 7230627 via cif-deposit CGI script.	7230625.cif