Information card for entry 7110068

Structure parameters

• Formula: C32 H24 Cl Mn N3 O7 P
• Calculated formula: C32 H24 Cl Mn N3 O7 P
• SMILES: [Mn]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([n]2ccccc2N=[N]1c1ccccc1)(C#[O])(C#[O])C#[O].Cl(=O)(=O)(=O)[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: 11.09 ± 0.004 Å
• b: 12.173 ± 0.004 Å
• c: 22.935 ± 0.008 Å
• α: 90°
• β: 90.67 ± 0.009°
• γ: 90°
• Cell volume: 3096 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1963
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.2281
• Weighted residual factors for all reflections included in the refinement: 0.3401
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No