Information card for entry 1568704

Structure parameters

• Formula: C24 H16 Cl2 Mn N4
• Calculated formula: C24 H16 Cl2 Mn N4
• SMILES: [Mn]12(Cl)(Cl)([n]3c4c5[n]1cccc5ccc4ccc3)[n]1c3c4[n]2cccc4ccc3ccc1
• Title of publication: Manganese(ii) complexes stimulate antitumor immunity <i>via</i> aggravating DNA damage and activating the cGAS-STING pathway.
• Authors of publication: Cai, Linxiang; Wang, Ying; Chen, Yayu; Chen, Hanhua; Yang, Tao; Zhang, Shuren; Guo, Zijian; Wang, Xiaoyong
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 16
• Pages of publication: 4375 - 4389
• a: 9.4276 ± 0.0015 Å
• b: 15.165 ± 0.002 Å
• c: 14.397 ± 0.002 Å
• α: 90°
• β: 98.778 ± 0.008°
• γ: 90°
• Cell volume: 2034.2 ± 0.5 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• 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: 0.0932
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.2172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No