Crystallography Open Database

Information card for entry 7230622

Preview

Coordinates	7230622.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H24 Cu F12 N3 O5
Calculated formula	C25 H24 Cu F12 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	9.8939 ± 0.0014 Å
b	18.898 ± 0.003 Å
c	16.637 ± 0.002 Å
α	90°
β	96.438 ± 0.004°
γ	90°
Cell volume	3091.1 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1243
Weighted residual factors for all reflections included in the refinement	0.1391
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	7230622.cif
207738	2018-05-11	cif/ Adding structures of 7230622, 7230623, 7230624, 7230625, 7230626, 7230627 via cif-deposit CGI script.	7230622.cif