Crystallography Open Database





Information card for 1004005

1004004 << 1004005 >> 1004006

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Coordinates

1004005.cif

Structure parameters

Common name Tungsten Sulfide cluster
Chemical name octakis(μ~3~-sulfido)-hexakis(tert-butylisocyanide)-hexa-tungsten tetrakis(benzene) solvate
Formula - C54 H78 N6 S8 W6 -
Calculated formula - C54 H78 N6 S8 W6 -
Title of publication Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ 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
Journal issue 12
Pages of publication 2666 - 2674
a 12.1751 ± 0.0006 Å
b 12.5456 ± 0.0006 Å
c 12.7678 ± 0.0006 Å
α 111.532 ± 0.0011°
β 110.339 ± 0.0011°
γ 93.1387 ± 0.0011°
Cell volume 1663.41 ± 0.14 Å3
Cell temperature 173 ± 2 K
Ambient diffraction temperature 173 ± 2 K
Number of distinct elements 5
Hermann-Mauguin symmetry space group P -1
Hall symmetry space group -P 1
Residual factor for all reflections 0.0693
Residual factor for observed reflections 0.0412
Weighted residual factors for the observed reflections 0.0823
Weighted residual factors for all reflections included in the refinement 0.091
Goodness-of-fit parameter for observed reflections 0.993
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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