Crystallography Open Database

Information card for entry 7231560

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Coordinates	7231560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H32 I8 Mn2 N16 Nb
Calculated formula	C48 H32 I8 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	20.7954 ± 0.0007 Å
b	20.7954 ± 0.0007 Å
c	14.1103 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	6102 ± 0.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	80
Hermann-Mauguin space group symbol	I 41
Hall space group symbol	I 4bw
Residual factor for all reflections	0.0218
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0526
Weighted residual factors for all reflections included in the refinement	0.0526
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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