Information card for entry 7718849

Structure parameters

• Formula: C28 H40 Mo2 N8 O8 S4
• Calculated formula: C28 H40 Mo2 N8 O8 S4
• Title of publication: Hydrogen evolution reaction evidenced for Mo₂O₂S₂-thiosemicarbazone coordination complexes.
• Authors of publication: Buils, Jordi; Calancea, Sergiu; Bouaouni, Yasmine; AlChamandi, Roa; Laurans, Maxime; Cebotari, Diana; Marrot, Jérôme; Frégnaux, Mathieu; Gulea, Aurelian; Segado-Centellas, Mireia; Bo, Carles; Floquet, Sébastien
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 26
• Pages of publication: 10381 - 10395
• a: 40.1819 ± 0.0019 Å
• b: 9.2877 ± 0.0005 Å
• c: 21.761 ± 0.0009 Å
• α: 90°
• β: 110.464 ± 0.002°
• γ: 90°
• Cell volume: 7608.6 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No