Information card for entry 7704701

Structure parameters

• Formula: C15 H9 Br Cl Mn N2 O3
• Calculated formula: C15 H9 Br Cl Mn N2 O3
• SMILES: Br[Mn]1([n]2ccccc2C=[N]1c1ccc(Cl)cc1)(C#[O])(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: 8.9142 ± 0.0019 Å
• b: 26.172 ± 0.007 Å
• c: 6.8978 ± 0.0018 Å
• α: 90°
• β: 109.071 ± 0.007°
• γ: 90°
• Cell volume: 1520.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0407
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No