Information card for entry 1568596

Structure parameters

• Formula: C27 H36 Br2 Mo5 N18 O2 Se5
• Calculated formula: C27 H28 Br2 Mo5 N18 O2 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: 15.632 ± 0.001 Å
• b: 25.5634 ± 0.0015 Å
• c: 12.2766 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4905.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No