Crystallography Open Database

Information card for entry 4321521

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Coordinates	4321521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 K6 Mo6 N5 Se8
Calculated formula	C5 K6 Mo6 N5 Se8
Title of publication	A Cyanide-Bridged Chain of Mo6Se8 Clusters: A Product of Cyanide-Melt Cluster Synthesis
Authors of publication	Carmela Magliocchi; Xiaobing Xie; Timothy Hughbanks
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	5000 - 5001
a	11.5085 ± 0.0004 Å
b	11.5085 ± 0.0004 Å
c	9.5177 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1260.58 ± 0.08 Å³
Cell temperature	90 ± 1 K
Ambient diffraction temperature	90 ± 1 K
Number of distinct elements	5
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.0411
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0432
Weighted residual factors for all reflections included in the refinement	0.0458
Goodness-of-fit parameter for all reflections included in the refinement	0.931
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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