Crystallography Open Database

Information card for entry 7231558

Preview

Coordinates	7231558.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	20.8811 ± 0.0009 Å
b	20.8811 ± 0.0009 Å
c	14.219 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6199.8 ± 0.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0456
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7231558.html