Crystallography Open Database

Information card for entry 7036615

Preview

Coordinates	7036615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C115 H95 Cu Dy3 F66 N8 O38
Calculated formula	C115 H95 Cu Dy3 F66 N8 O38
Title of publication	Nitronyl nitroxide based 2p-3d-4f chains with the magnetocaloric effect and slow magnetic relaxation.
Authors of publication	Wang, Xiufeng; Li, Cun; Sun, Juan; Li, Licun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	42
Pages of publication	18411 - 18417
a	19.771 ± 0.002 Å
b	22.179 ± 0.002 Å
c	33.842 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	14840 ± 3 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1362
Weighted residual factors for all reflections included in the refinement	0.1396
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7036615.cif
171281	2015-12-09	cif/ Updating files of 7036612, 7036613, 7036614, 7036615 Original log message: Adding full bibliography for 7036612--7036615.cif.	7036615.cif
158245	2015-09-23	cif/ Adding structures of 7036612, 7036613, 7036614, 7036615 via cif-deposit CGI script.	7036615.cif