Information card for entry 7014056

Structure parameters

• Formula: C75 H57 Er N10
• Calculated formula: C75 H57 Er N10
• SMILES: [Er]123([n]4c(cc(n14)c1ccccc1)c1ccccc1)([n]1c(cc([nH]1)c1ccccc1)c1ccccc1)([n]1c(cc(n31)c1ccccc1)c1ccccc1)([n]1c(cc(n21)c1ccccc1)c1ccccc1)[n]1c(cc([nH]1)c1ccccc1)c1ccccc1
• Title of publication: Reactions of lanthanoid metals with 3,5-diphenylpyrazole at elevated temperatures: synthesis and structures of both homoleptic, [Ln3(Ph2pz)9] (Ln = La, Nd), [Ln2(Ph2pz)6] (Ln = Er, Lu), and heteroleptic, [Ln(Ph2pz)3(Ph2pzH)2] (Ln = La, Nd, Gd, Tb, Er or Yb), pyrazolate complexes.
• Authors of publication: Deacon, Glen B.; Forsyth, Craig M.; Gitlits, Alex; Skelton, Brian W.; White, Allan H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 8
• Pages of publication: 1239 - 1247
• a: 20.209 ± 0.002 Å
• b: 13.816 ± 0.002 Å
• c: 21.85 ± 0.002 Å
• α: 90°
• β: 104.179 ± 0.002°
• γ: 90°
• Cell volume: 5914.8 ± 1.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.033
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for all reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.032
• Goodness-of-fit parameter for all reflections: 1.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No