Crystallography Open Database

Information card for entry 7104318

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Coordinates	7104318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H98 Mn6 N6 O27
Calculated formula	C66 H86 Mn6 N6 O24
Title of publication	1D chains of Mn6 single-molecule magnets.
Authors of publication	Jones, Leigh F; Prescimone, Alessandro; Evangelisti, Marco; Brechin, Euan K
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2009
Journal volume	34
Journal issue	15
Pages of publication	2023 - 2025
a	11.7008 ± 0.0003 Å
b	25.3007 ± 0.0007 Å
c	13.7952 ± 0.0004 Å
α	90°
β	105.116 ± 0.001°
γ	90°
Cell volume	3942.61 ± 0.19 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0826
Residual factor for significantly intense reflections	0.0723
Weighted residual factors for all reflections	0.0579
Weighted residual factors for significantly intense reflections	0.057
Weighted residual factors for all reflections included in the refinement	0.0579
Goodness-of-fit parameter for all reflections included in the refinement	1.2941
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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