Crystallography Open Database

Information card for entry 7230623

Preview

Coordinates	7230623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H24 F12 Mn N3 O5
Calculated formula	C25 H24 F12 Mn N3 O5
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	18.4213 ± 0.0008 Å
b	18.1732 ± 0.0008 Å
c	19.0497 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	6377.3 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1044
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.2124
Weighted residual factors for all reflections included in the refinement	0.2461
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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.	7230623.cif
207738	2018-05-11	cif/ Adding structures of 7230622, 7230623, 7230624, 7230625, 7230626, 7230627 via cif-deposit CGI script.	7230623.cif