Information card for entry 7704702

Structure parameters

• Formula: C15 H10 Br Mn N2 O4
• Calculated formula: C15 H10 Br Mn N2 O4
• SMILES: Br[Mn]1(C#[O])([n]2ccccc2C=[N]1c1ccc(O)cc1)(C#[O])C#[O]
• Title of publication: Cytotoxicity of photoactivatable bromo tricarbonyl manganese(i) compounds against human liver carcinoma cells.
• Authors of publication: Khaled, Rabaa M.; Friedrich, Alexandra; Ragheb, Mohamed A.; Abdel-Ghani, Nour T; Mansour, Ahmed M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 27
• Pages of publication: 9294 - 9305
• a: 8.7327 ± 0.0017 Å
• b: 26.447 ± 0.01 Å
• c: 7.04 ± 0.0014 Å
• α: 90°
• β: 113.752 ± 0.017°
• γ: 90°
• Cell volume: 1488.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0298
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No