Information card for entry 1568597

Structure parameters

• Formula: C39 H48 Br Mo5 N26 Se5
• Calculated formula: C39 H44 Br Mo5 N26 Se5
• Title of publication: Unusual Square Pyramidal Chalcogenide Mo₅ Cluster with Bridging Pyrazolate-Ligands.
• Authors of publication: Savina, Iulia V.; Ivanov, Anton A.; Evtushok, Darya V.; Gayfulin, Yakov M.; Komarovskikh, Andrey Y.; Syrokvashin, Mikhail M.; Ivanova, Mariia N.; Asanov, Igor P.; Eltsov, Ilia V.; Kuratieva, Natalia V.; Mironov, Yuri V.; Shestopalov, Michael A.
• Journal of publication: International journal of molecular sciences
• Year of publication: 2023
• Journal volume: 24
• Journal issue: 4
• Pages of publication: 3440
• a: 15.6443 ± 0.0004 Å
• b: 15.6443 ± 0.0004 Å
• c: 11.3058 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2767.03 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No