Crystallography Open Database

Information card for entry 7037399

Preview

Coordinates	7037399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H87 Fe4 N15 O42 Y2
Calculated formula	C82 H87 Fe4 N15 O42 Y2
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	31.177 ± 0.004 Å
b	15.66 ± 0.002 Å
c	20.673 ± 0.003 Å
α	90°
β	95.539 ± 0.002°
γ	90°
Cell volume	10046 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0884
Residual factor for significantly intense reflections	0.0778
Weighted residual factors for significantly intense reflections	0.2179
Weighted residual factors for all reflections included in the refinement	0.2302
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.8 Å
Diffraction radiation type	synchrotron
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.	7037399.cif
170498	2015-11-24	cif/ Adding structures of 7037399, 7037400 via cif-deposit CGI script.	7037399.cif