Crystallography Open Database

Information card for entry 4310716

Preview

Coordinates	4310716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H4 K7 Mo4 N12 Na O6 Se4
Calculated formula	C13 K7 Mo4 N12 Na O5.99 Se4
Title of publication	Cyanide-Melt Synthesis of Reduced Molybdenum Selenide Clusters
Authors of publication	Carmela Magliocchi; Xiaobing Xie; Timothy Hughbanks
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	1902 - 1911
a	11.8498 ± 0.0005 Å
b	12.236 ± 0.0006 Å
c	24.4645 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3547.2 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	8
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0217
Residual factor for significantly intense reflections	0.0203
Weighted residual factors for significantly intense reflections	0.0492
Weighted residual factors for all reflections included in the refinement	0.0495
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4310716.html