Crystallography Open Database

Information card for entry 7113021

Preview

Coordinates	7113021.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C107 H104 Dy4 N8 O31
Calculated formula	C107 H92 Dy4 N8 O31
Title of publication	A linear tetranuclear dysprosium(III) compound showing single-molecule magnet behaviour.
Authors of publication	Ke, Hongshan; Xu, Gong-Feng; Guo, Yun-Nan; Gamez, Patrick; Beavers, Christine M.; Teat, Simon J.; Tang, Jinkui
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	33
Pages of publication	6057 - 6059
a	11.6562 ± 0.0008 Å
b	15.2677 ± 0.0011 Å
c	15.6126 ± 0.0011 Å
α	108.137 ± 0.001°
β	93.215 ± 0.001°
γ	103.13 ± 0.001°
Cell volume	2547.1 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0918
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180244 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/30.	7113021.cif
112209	2014-04-30	cif/ Adding structures of 7113021 via cif-deposit CGI script.	7113021.cif