Information card for entry 7045081

Structure parameters

• Formula: C50 H50 Fe2 N2 O4 Se4
• Calculated formula: C50 H50 Fe2 N2 O4 Se4
• SMILES: [c]123[cH]4[Fe]56789%102([cH]1[cH]5[cH]46)[c]1([cH]7[cH]8[cH]9[cH]%101)[Se]CCN(CC[Se][c]12[cH]4[cH]5[cH]6[cH]1[Fe]17892456[c]2([cH]1[cH]7[cH]8[cH]92)[Se]CCN(CC[Se]3)Cc1ccc2c(OC(=O)C=C2C)c1)Cc1cc2OC(=O)C=C(c2cc1)C
• Title of publication: A ferrocene∩europium assembly showing phototriggered anticancer activity and fluorescent modality imaging.
• Authors of publication: Qu, Jian; Xia, Qing; Ji, Wei; Jing, Su; Zhu, Dunru; Li, Lin; Huang, Ling; An, Zhongfu; Xin, Chenqi; Ni, Yun; Li, Mengxue; Jia, Jidong; Song, Yinglin; Huang, Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 1479 - 1487
• a: 26.224 ± 0.006 Å
• b: 5.9154 ± 0.0013 Å
• c: 32.551 ± 0.005 Å
• α: 90°
• β: 113.754 ± 0.013°
• γ: 90°
• Cell volume: 4621.7 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No