Information card for entry 7248258

Structure parameters

• Formula: C30 H30 Mo3 N6 Re3 S8
• Calculated formula: C30 H30 Mo2.9998 N6 Re3.0002 S8
• Title of publication: Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures
• Authors of publication: Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 12
• Pages of publication: 1720 - 1729
• a: 9.3362 ± 0.0008 Å
• b: 10.5758 ± 0.0008 Å
• c: 11.8771 ± 0.0009 Å
• α: 114.524 ± 0.002°
• β: 91.007 ± 0.003°
• γ: 109.1 ± 0.003°
• Cell volume: 992.01 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No