Information card for entry 7010888

Structure parameters

• Formula: C62 H64 Cl3 Co Er N4 O9 P3
• Calculated formula: C62 H64 Cl3 Co Er N4 O9 P3
• SMILES: [Er]12345([n]6c7=C(c8n3c(C(=c3[n]2c(C(=c2n1c(=C(c6cc7)c1ccccc1)cc2)c1ccccc1)cc3)c1ccccc1)cc8)c1ccccc1)O[P]([Co]1236([P](O4)(OCC)OCC)([P](O5)(OCC)OCC)[cH]4[cH]1[cH]2[cH]3[cH]64)(OCC)OCC.C(Cl)(Cl)Cl
• Title of publication: Synthesis, structure and near-infrared luminescence of neutral 3d–4f bi-metallic monoporphyrinate complexes
• Authors of publication: Wong, Wai-Kwok; Hou, Anxin; Guo, Jianping; He, Hongshan; Zhang, Lilu; Wong, Wai-Yeung; Li, King-Fai; Cheah, Kok-Wai; Xue, F.; Mak, Thomas C. W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 20
• Pages of publication: 3092
• a: 13.283 ± 0.003 Å
• b: 21.498 ± 0.004 Å
• c: 23.681 ± 0.005 Å
• α: 90°
• β: 104.78 ± 0.03°
• γ: 90°
• Cell volume: 6539 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No