Information card for entry 7224446

Structure parameters

• Common name: Erdppz2
• Formula: C36 H20 Cl3 Er N8
• Calculated formula: C36 H20 Cl3 Er N8
• SMILES: c1ccc2c3c(c4ccc[n]5c4c2[n]1[Er]15(Cl)(Cl)(Cl)[n]2cccc4c5c(c6ccc[n]1c6c24)nc1ccccc1n5)nc1c(cccc1)n3
• Title of publication: Photosensitized samarium(iii) and erbium(iii) complexes of planar N,N-donor heterocyclic bases: crystal structures and evaluation of biological activity
• Authors of publication: Dasari, Srikanth; Abbas, Zafar; Kumar, Priyaranjan; Patra, Ashis K.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 4313
• a: 21.54 ± 0.004 Å
• b: 17.225 ± 0.003 Å
• c: 19.377 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7189 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No