Crystallography Open Database

Information card for entry 4110016

Preview

Coordinates	4110016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H128 Mn6 N6 O26
Calculated formula	C90 H128 Mn6 N6 O26
Title of publication	Toward a Magnetostructural Correlation for a Family of Mn6SMMs
Authors of publication	Constantinos J. Milios; Ross Inglis; Alina Vinslava; Rashmi Bagai; Wolfgang Wernsdorfer; Simon Parsons; Spyros P. Perlepes; George Christou; Euan K. Brechin
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	12505 - 12511
a	12.9841 ± 0.0003 Å
b	13.2178 ± 0.0003 Å
c	15.9543 ± 0.0004 Å
α	77.164 ± 0.002°
β	69.377 ± 0.001°
γ	64.128 ± 0.001°
Cell volume	2298.15 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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