Crystallography Open Database

Information card for entry 7230418

Preview

Coordinates	7230418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H26 Cu2 F24 N3 O11
Calculated formula	C39 H26 Cu2 F24 N3 O11
Title of publication	A functional nitroxide ligand builds up two 2p‒3d complexes with different spin ground states and a 2p‒3d‒4f chain of rings
Authors of publication	Zhu, Mei; Lou, Dingshuo; Deng, Xiaochun; Zhang, Li; Zhang, Wei; Lü, Yaohong
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	18
Pages of publication	2583
a	10.94 ± 0.002 Å
b	12.365 ± 0.003 Å
c	18.073 ± 0.004 Å
α	86.35 ± 0.03°
β	78.63 ± 0.03°
γ	83.48 ± 0.03°
Cell volume	2379.2 ± 0.9 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0666
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1542
Weighted residual factors for all reflections included in the refinement	0.164
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229099 (current)	2019-11-17	cif/ Updating files of 7230416, 7230417, 7230418 Original log message: Adding full bibliography for 7230416--7230418.cif.	7230418.cif
207254	2018-04-07	cif/ Adding structures of 7230416, 7230417, 7230418 via cif-deposit CGI script.	7230418.cif