Information card for entry 7716684

Structure parameters

• Formula: C25 H16 Mo N4 O5
• Calculated formula: C25 H16 Mo N4 O5
• Title of publication: An organic-organometallic CO-releasing material comprising 4,4'-bipyridine and molybdenum subcarbonyl building blocks.
• Authors of publication: Calhau, Isabel B.; Gomes, Ana C.; Mendes, Ricardo F.; Almeida Paz, Filipe A.; Gonçalves, Isabel S; Pillinger, Martyn
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 30
• Pages of publication: 12783 - 12796
• a: 7.1579 ± 0.0008 Å
• b: 21.788 ± 0.003 Å
• c: 15.1954 ± 0.0017 Å
• α: 90°
• β: 94.752 ± 0.002°
• γ: 90°
• Cell volume: 2361.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0346
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No