Crystallography Open Database

Information card for entry 4110014

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Coordinates	4110014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H88 Mn6 N6 O26 S2
Calculated formula	C70 H88 Mn6 N6 O26 S2
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	11.1507 ± 0.0003 Å
b	13.9643 ± 0.0003 Å
c	14.3862 ± 0.0003 Å
α	67.693 ± 0.001°
β	70.479 ± 0.001°
γ	75.741 ± 0.001°
Cell volume	1934.91 ± 0.08 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	0.0816
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1406
Weighted residual factors for all reflections included in the refinement	0.1473
Goodness-of-fit parameter for all reflections included in the refinement	1.181
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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