Crystallography Open Database

Information card for entry 7235240

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Coordinates	7235240.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C115 H112 Mn12 N4 O39
Calculated formula	C115 H112 Mn12 N4 O39
Title of publication	A new member of a class of rod-like Mn12 single molecule magnets using 2-(pyridine-2-ly)propan-2-ol
Authors of publication	Yang, En-Che; Huang, Shi-Yi; Wernsdorfer, Wolfgang; Hong, Ling-Xuan; Damjanovic, Marko; Niekamp, Lukas; Lee, Gene-Hsiang
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	65
Pages of publication	37740
a	15.8858 ± 0.0004 Å
b	17.4589 ± 0.0004 Å
c	27.1441 ± 0.0007 Å
α	96.7381 ± 0.0006°
β	103.103 ± 0.0005°
γ	107.782 ± 0.0006°
Cell volume	6839.3 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0675
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1312
Weighted residual factors for all reflections included in the refinement	0.1458
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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