Crystallography Open Database

Information card for entry 1546161

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Coordinates	1546161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H52 Mn2 N10 O8
Calculated formula	C44 H52 Mn2 N10 O8
Title of publication	Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers
Authors of publication	Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2017
a	16.719 ± 0.0006 Å
b	14.5578 ± 0.0005 Å
c	17.9507 ± 0.0006 Å
α	90°
β	104.338 ± 0.001°
γ	90°
Cell volume	4233 ± 0.3 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 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	0.0465
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.0859
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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