Crystallography Open Database

Information card for entry 7227075

Preview

Coordinates	7227075.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H22 Br Cu F30 N3 O13 Pr
Calculated formula	C37 H22 Br Cu F30 N3 O13 Pr
Title of publication	Cu–Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties
Authors of publication	Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	48
Pages of publication	9345
a	14.802 ± 0.002 Å
b	19.305 ± 0.002 Å
c	18.193 ± 0.002 Å
α	90°
β	100.899 ± 0.004°
γ	90°
Cell volume	5104.9 ± 1 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	8
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	0.0343
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.071
Weighted residual factors for all reflections included in the refinement	0.0725
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
288245 (current)	2023-12-12	cif/ Removed several misspelt data names since the same space group information is already provided using proper data names.	7227075.cif
190072	2017-01-09	cif/ Updating files of 7227070, 7227071, 7227072, 7227073, 7227074, 7227075, 7227076, 7227077 Original log message: Adding full bibliography for 7227070--7227077.cif.	7227075.cif
188391	2016-11-11	cif/ Adding structures of 7227070, 7227071, 7227072, 7227073, 7227074, 7227075, 7227076, 7227077 via cif-deposit CGI script.	7227075.cif