Information card for entry 7110067

Structure parameters

• Formula: C14 H9 Br Mn N3 O3
• Calculated formula: C14 H9 Br Mn N3 O3
• SMILES: [Mn]1(Br)([n]2ccccc2N=[N]1c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Rapid CO release from a Mn(I) carbonyl complex derived from azopyridine upon exposure to visible light and its phototoxicity toward malignant cells
• Authors of publication: Samantha J. Carrington; Indranil Chakraborty; Pradip K. Mascharak
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 11254
• a: 8.8523 ± 0.0005 Å
• b: 24.856 ± 0.0015 Å
• c: 7.1018 ± 0.0004 Å
• α: 90°
• β: 107.488 ± 0.001°
• γ: 90°
• Cell volume: 1490.4 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0247
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0566
• 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