Crystallography Open Database

Information card for entry 7040611

Preview

Coordinates	7040611.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C147 H283.5 Cr6 N7.5 O145.5 Tb14
Calculated formula	C147 H226.5 Cr6 N7.5 O145.5 Tb14
Title of publication	Supramolecular 3d-4f single-molecule magnet architectures.
Authors of publication	Schmitz, Sebastian; van Leusen, Jan; Izarova, Natalya V.; Lan, Yanhua; Wernsdorfer, Wolfgang; Kögerler, Paul; Monakhov, Kirill Yu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	41
Pages of publication	16148 - 16152
a	23.7804 ± 0.0003 Å
b	23.7804 ± 0.0003 Å
c	31.8903 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	15618.1 ± 0.3 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	6
Space group number	159
Hermann-Mauguin space group symbol	P 3 1 c
Hall space group symbol	P 3 -2c
Residual factor for all reflections	0.107
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1507
Weighted residual factors for all reflections included in the refinement	0.1819
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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