Information card for entry 7038686

Structure parameters

• Chemical name: Manganese triscarbonyl azopyridine bromide
• Formula: C13 H8 Br Mn N4 O3
• Calculated formula: C13 H8 Br Mn N4 O3
• SMILES: C([Mn]1(C#[O])(C#[O])(Br)[n]2ccccc2N=[N]1c1ccccn1)#[O]
• Title of publication: Red-light activated photoCORMs of Mn(i) species bearing electron deficient 2,2'-azopyridines.
• Authors of publication: Kottelat, E.; Ruggi, A.; Zobi, F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6920 - 6927
• a: 7.0251 ± 0.0004 Å
• b: 8.8782 ± 0.0005 Å
• c: 12.4114 ± 0.0007 Å
• α: 87.09 ± 0.005°
• β: 80.778 ± 0.005°
• γ: 69.965 ± 0.004°
• Cell volume: 717.85 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No