Crystallography Open Database

Information card for entry 7231561

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Coordinates	7231561.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H32 Cl8 Mn2 N16 Nb
Calculated formula	C48 H32 Cl8 Mn2 N16 Nb
Title of publication	Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds
Authors of publication	Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi
Journal of publication	CrystEngComm
Year of publication	2018
a	13.9379 ± 0.0003 Å
b	26.6853 ± 0.0005 Å
c	31.5931 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	11750.6 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	70
Hermann-Mauguin space group symbol	F d d d
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0648
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1058
Weighted residual factors for all reflections included in the refinement	0.108
Goodness-of-fit parameter for all reflections included in the refinement	1.368
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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