Crystallography Open Database

Information card for entry 7037400

Preview

Coordinates	7037400.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H100 Dy3 Fe6 N17 O50
Calculated formula	C94 H100 Dy3 Fe6 N17 O50
Title of publication	A single molecule magnet to single molecule magnet transformation via a solvothermal process: Fe4Dy2 →Fe6Dy3.
Authors of publication	Chen, Sihuai; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	45
Journal issue	1
Pages of publication	98 - 106
a	13.8939 ± 0.0009 Å
b	16.7523 ± 0.0012 Å
c	24.8472 ± 0.0016 Å
α	81.772 ± 0.005°
β	83.121 ± 0.005°
γ	85.507 ± 0.005°
Cell volume	5671.5 ± 0.7 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	0.0894
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1443
Weighted residual factors for all reflections included in the refinement	0.1545
Goodness-of-fit parameter for all reflections included in the refinement	0.969
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
176106 (current)	2016-02-05	cif/ Updating files of 7037399, 7037400 Original log message: Adding full bibliography for 7037399--7037400.cif.	7037400.cif
170498	2015-11-24	cif/ Adding structures of 7037399, 7037400 via cif-deposit CGI script.	7037400.cif