Crystallography Open Database

Information card for entry 7039238

Preview

Coordinates	7039238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H168 Dy4 Ga4 N8 O36
Calculated formula	C136 H168 Dy4 Ga4 N8 O36
Title of publication	First heterometallic Ga(III)-Dy(III) single-molecule magnets: implication of Ga(III) in extracting Fe-Dy interaction.
Authors of publication	Chen, Sihuai; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	22
Pages of publication	9336 - 9344
a	15.4662 ± 0.0004 Å
b	16.8729 ± 0.0005 Å
c	29.165 ± 0.0008 Å
α	87.415 ± 0.002°
β	87.793 ± 0.002°
γ	68.609 ± 0.003°
Cell volume	7077.4 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0976
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1062
Weighted residual factors for all reflections included in the refinement	0.1196
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
185306 (current)	2016-08-07	cif/ Updating files of 7039237, 7039238 Original log message: Adding full bibliography for 7039237--7039238.cif.	7039238.cif
182874	2016-05-11	cif/ Adding structures of 7039237, 7039238 via cif-deposit CGI script.	7039238.cif