Crystallography Open Database





Information card for 1100716

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Coordinates

1100716.cif

Structure parameters

Formula - C38 H71 Mo3 O27 Rh S8 -
Calculated formula - C38 H43 Mo3 O27 Rh S8 -
Title of publication Synthesis and Characterization of a Twin Cubane-Type Molybdenum-Rhodium-Sulfur Cluster, [{Mo3RhCp*S4(H2O)7(O)}2]8+. X-ray Structure of [{Mo3RhCp*S4(H2O)7(O)}2](CH3C6H4SO3)8.14H2O
Authors of publication Haruo Akashi; Kiyoshi Isobe; Takashi Shibahara
Journal of publication Inorganic Chemistry
Year of publication 2005
Journal volume 44
Pages of publication 3494 - 3498
a 12.2631 ± 0.0008 Å
b 15.911 ± 0.001 Å
c 17.389 ± 0.003 Å
α 63.704 ± 0.003°
β 78.688 ± 0.002°
γ 81.038 ± 0.002°
Cell volume 2973.5 ± 0.6 Å3
Cell temperature 93.1 K
Number of distinct elements 6
Hermann-Mauguin symmetry space group P -1
Hall symmetry space group -P 1
Residual factor for observed reflections 0.061
Weighted residual factors for all reflections included in the refinement 0.163
Goodness-of-fit parameter for observed reflections 0.992
Diffraction radiation wavelength 0.7107 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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