Crystallography Open Database

Information card for entry 7049541

Preview

Coordinates	7049541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H54 N3 O11 P2 Tb
Calculated formula	C24 H60 N3 O11 P2 Tb
Title of publication	An eight-coordinate ytterbium complex with a hexagonal bipyramid geometry exhibiting field-induced single-ion magnet behaviour.
Authors of publication	Zhao, Wen; Cui, Huihui; Chen, Xiao-Yun; Yi, Gangji; Chen, Lei; Yuan, Aihua; Luo, Cheng-Lin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	17
Pages of publication	5621 - 5626
a	13.9163 ± 0.0014 Å
b	13.9163 ± 0.0014 Å
c	15.107 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	2533.7 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0818
Residual factor for significantly intense reflections	0.0763
Weighted residual factors for significantly intense reflections	0.2075
Weighted residual factors for all reflections included in the refinement	0.2111
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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
224104 (current)	2019-11-07	cif/ Updating files of 7049540, 7049541 Original log message: Adding full bibliography for 7049540--7049541.cif.	7049541.cif
214430	2019-03-31	cif/ Adding structures of 7049540, 7049541 via cif-deposit CGI script.	7049541.cif