Information card for entry 7717708

Structure parameters

• Formula: C32 H40 Cl4 Mo2 N8 O8
• Calculated formula: C32 H40 Cl4 Mo2 N8 O8
• Title of publication: Mo(0) carbonyl complexes bearing the bis(3,5-dimethylpyrazole) ligand: catalysis of the regioselective [2 + 2 + 2] cycloaddition of terminal alkynes to synthesize 1,3,5-isomers.
• Authors of publication: Mondal, Palash; Dutta, Poulami; Mani, Ganesan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 2654 - 2663
• a: 18.6388 ± 0.0007 Å
• b: 13.4796 ± 0.0005 Å
• c: 16.9256 ± 0.0006 Å
• α: 90°
• β: 106.73 ± 0.001°
• γ: 90°
• Cell volume: 4072.5 ± 0.3 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No