Information card for entry 7014049

Structure parameters

• Formula: C135 H99 La3 N18
• Calculated formula: C135 H99 La3 N18
• SMILES: [La]12345(n6[n]1c(c1ccccc1)cc6c1ccccc1)([n]1n2c(c2ccccc2)cc1c1ccccc1)[N]12[La]6789%10(N31=C(C=C2c1ccccc1)c1ccccc1)([N]14N56=C(c2ccccc2)C=C1c1ccccc1)(n1[n]7c(c2ccccc2)cc1c1ccccc1)[N]12[La]345(N81=C(c1ccccc1)C=C2c1ccccc1)([N]19N%103=C(c2ccccc2)C=C1c1ccccc1)(n1[n]4c(c2ccccc2)cc1c1ccccc1)[n]1n5c(c2ccccc2)cc1c1ccccc1
• 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: 19.263 ± 0.001 Å
• b: 20.115 ± 0.001 Å
• c: 28.656 ± 0.002 Å
• α: 90°
• β: 100.132 ± 0.001°
• γ: 90°
• Cell volume: 10930.3 ± 1.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections: 1.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No