Information card for entry 4060042

Structure parameters

• Formula: C19 H13 Mn Mo N2 O4 S2
• Calculated formula: C19 H13 Mn Mo N2 O4 S2
• SMILES: [Mo]12345678([Mn]([S]1c1[n]3cccc1)([S]2c1ncccc1)(C#[O])(C#[O])(C#[O])C4=O)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Investigations of Pyridine-2-thiol as a Ligand: Synthesis and X-ray Structures of the Mixed Mo-Mn Dinuclear Complex CpMoMn(CO)3(μ-CO)(μ-η2-pyS)(μ-η1-pyS), the Electron-Deficient Trimolybdenum Cluster Cp3Mo3(μ-CO)2(μ-S)(μ3-S)(μ-η2-NC5H4), and the Mononuclear CpMo(CO)2(μ-η2-pyS)
• Authors of publication: Noorjahan Begum; Shariff E. Kabir; G. M. Golzar Hossain; A. F. M. Mahfuzur Rahman; Edward Rosenberg
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Pages of publication: 266 - 271
• a: 10.68 ± 0.002 Å
• b: 12.0922 ± 0.0018 Å
• c: 15.335 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1980.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No