Crystallography Open Database

Information card for entry 7039237

Preview

Coordinates	7039237.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H113 Dy2 Ga4 N5 O26
Calculated formula	C90 H113 Dy2 Ga4 N5 O26
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	15.0554 ± 0.0005 Å
b	29.0734 ± 0.0011 Å
c	22.3017 ± 0.0008 Å
α	90°
β	106.594 ± 0.004°
γ	90°
Cell volume	9355.2 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1029
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.1047
Weighted residual factors for all reflections included in the refinement	0.1196
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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.	7039237.cif
182874	2016-05-11	cif/ Adding structures of 7039237, 7039238 via cif-deposit CGI script.	7039237.cif