Crystallography Open Database

Information card for entry 7048004

Preview

Coordinates	7048004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H63.5 B Cl2 Dy O5.5
Calculated formula	C46 H63.5 B Cl2 Dy O5.5
Title of publication	Single-molecule magnet behaviour in a Dy(iii) pentagonal bipyramidal complex with a quasi-linear Cl-Dy-Cl sequence.
Authors of publication	Long, Jérôme; Selikhov, Alexander N.; Mamontova, Ekaterina; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	48
Journal issue	1
Pages of publication	35 - 39
a	12.5166 ± 0.0005 Å
b	12.7218 ± 0.0005 Å
c	29.2642 ± 0.0012 Å
α	79.4431 ± 0.0009°
β	79.7267 ± 0.001°
γ	82.1866 ± 0.0009°
Cell volume	4481.8 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0585
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.0777
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
223944 (current)	2019-11-07	cif/ Updating files of 7048004 Original log message: Adding full bibliography for 7048004.cif.	7048004.cif
211863	2018-11-09	cif/ Adding structures of 7048004 via cif-deposit CGI script.	7048004.cif