Information card for entry 7052555

Structure parameters

• Formula: C60 H60 Br4 Cl3 Eu N8 O13
• Calculated formula: C60 H60 Br4 Cl3 Eu N8 O13
• SMILES: C[O]1c2cc(cc(c2[OH][Eu]2341([OH2])([O](c1cc(cc(c1[OH]2)c1[nH]c2ccccc2n1)Br)C)([O](C)c1cc(cc(c1[OH]3)c1[nH]c2ccccc2n1)Br)[O](C)c1cc(cc(c1[OH]4)c1[nH]c2ccccc2n1)Br)c1[nH]c2ccccc2n1)Br.OC.OC.[Cl-].[Cl-].OC.OC.[Cl-]
• Title of publication: Influence of metal‒ligand ratio on benzimidazole based luminescent lanthanide complexes: 3-D network structures and chloride anion binding
• Authors of publication: Yang, Xiaoping; Jones, Richard A.; Oye, Michael M.; Wiester, Michael; Lai, Rachel J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 2
• Pages of publication: 310
• a: 17.72 ± 0.004 Å
• b: 22.332 ± 0.005 Å
• c: 16.13 ± 0.003 Å
• α: 90°
• β: 99.52 ± 0.03°
• γ: 90°
• Cell volume: 6295 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.0539
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No