Crystallography Open Database

Information card for entry 7208080

7208079 << 7208080 >> 7208081

Preview

Coordinates	7208080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H45 Er F18 N4 O12
Calculated formula	C51 H45 Er F18 N4 O12
Title of publication	A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties
Authors of publication	Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	14
Pages of publication	4706
a	11.778 ± 0.002 Å
b	14.717 ± 0.003 Å
c	17.644 ± 0.003 Å
α	97.39 ± 0.03°
β	93.68 ± 0.03°
γ	107.89 ± 0.03°
Cell volume	2868.8 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.081
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1453
Weighted residual factors for all reflections included in the refinement	0.1601
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
180411 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/80.	7208080.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208080.cif
62787	2012-07-09	cif/ Adding structures of 7208078, 7208079, 7208080, 7208081, 7208082, 7208083, 7208084, 7208085 via cif-deposit CGI script.	7208080.cif