Information card for entry 7248262

Structure parameters

• Formula: C59.17 H85.75 Mo3 N8.59 Re3 S8
• Calculated formula: C59.168 H85.752 Mo3 N8.584 Re3 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: 14.3459 ± 0.0011 Å
• b: 15.5318 ± 0.0013 Å
• c: 18.3357 ± 0.0014 Å
• α: 105.271 ± 0.003°
• β: 103.906 ± 0.003°
• γ: 100.383 ± 0.003°
• Cell volume: 3694.1 ± 0.5 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: 0.065
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No