Crystallography Open Database

Information card for entry 1546150

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Coordinates	1546150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 F6 Mn N2 O5 P
Calculated formula	C22 H28 F6 Mn N2 O5 P
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	7.3187 ± 0.0004 Å
b	20.537 ± 0.001 Å
c	16.1889 ± 0.0008 Å
α	90°
β	95.132 ± 0.001°
γ	90°
Cell volume	2423.5 ± 0.2 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0512
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0865
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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