Information card for entry 4340411

Structure parameters

• Formula: C38 H71 Mo3 O27 Rh S8
• Calculated formula: C38 H43 Mo3 O27 Rh S8
• SMILES: [Rh]123456([S]7[Mo]89%10([Mo]%11%12([Mo]78([S]9%12)([S]3%11)([OH2])([OH2])[OH2])([S]1%10)([OH2])[OH2])([OH2])([OH2])[OH2])[c]1([c]4([c]5([c]6([c]21C)C)C)C)C.S(=O)(=O)([O-])c1ccc(cc1)C.S(=O)(=O)([O-])c1ccc(cc1)C.S(=O)(=O)([O-])c1ccc(cc1)C.S(=O)(=O)([O-])c1ccc(cc1)C.O.O.O.O.O.O.O
• 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 [{Mo3RhCpS4(H2O7O}2](CH3C6H4SO3)(8).14H2O.
• Authors of publication: Akashi, Haruo; Isobe, Kiyoshi; Shibahara, Takashi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 10
• 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 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No