Information card for entry 7704700

Structure parameters

• Formula: C19 H11 Br Mn N3 O5
• Calculated formula: C19 H11 Br Mn N3 O5
• SMILES: Br[Mn]1([n]2c3ccccc3ccc2C=[N]1c1ccc(N(=O)=O)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: 6.8628 ± 0.0002 Å
• b: 16.1907 ± 0.0004 Å
• c: 34.5806 ± 0.0007 Å
• α: 90.292 ± 0.002°
• β: 92.66 ± 0.002°
• γ: 92.168 ± 0.002°
• Cell volume: 3835.39 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1198
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for significantly intense reflections: 0.2706
• Weighted residual factors for all reflections included in the refinement: 0.2852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No