Crystallography Open Database





Information card for 1004000

1001863 << 1004000 >> 1004001

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Coordinates

1004000.cif

Structure parameters

Common name Tungsten sulfide cluster with
Chemical name octakis(mu!3$-sulfido)-hexakis(methylamine) -hexa-tungsten
Formula - C6 H30 N6 S8 W6 -
Calculated formula - C6 H30 N6 S8 W6 -
Title of publication Synthesis, Characterization, and Ligand Exchange Studies of W6S8L6 Cluster Compounds
Authors of publication Jin, Song.; Zhou, Ran.; Scheuer, Ellen. M.; Adamchuk, Jennifer.; Rayburn, Lori. L.; DiSalvo, Francis. J.
Journal of publication Inorganic Chemistry
Year of publication 2001
Journal volume 40
Pages of publication 2666 - 2674
a 9.0847 ± 0.0005 Å
b 9.1602 ± 0.0005 Å
c 9.566 ± 0.0005 Å
α 103.732 ± 0.001°
β 116.622 ± 0.001°
γ 106.265 ± 0.001°
Cell volume 619.1 ± 0.06 Å3
Cell temperature 173 ± 2 K
Ambient diffraction temperature 173 ± 2 K
Number of distinct elements 5
Hermann-Mauguin symmetry space group P-1
Residual factor for all reflections 0.047
Residual factor for observed reflections 0.0444
Weighted residual factors for the observed reflections 0.1222
Weighted residual factors for all reflections included in the refinement 0.1239
Goodness-of-fit parameter for observed reflections 1.097
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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