Information card for entry 8101235

Structure parameters

• Formula: C75 H65 I4 N15 Nd2 O2
• Calculated formula: C75 H65 I4 N15 Nd2 O2
• SMILES: [Nd]1234([OH][Nd]567([OH]1)([n]1ccccc1c1[n]7cccc1)([n]1ccccc1c1[n]5cccc1)[n]1c(c4[n]6cccc4)cccc1)([n]1ccccc1c1[n]2cccc1)([n]1ccccc1c1[n]4cccc1)[n]1ccccc1c1[n]3cccc1.[I-].[I-].[I-].[I-].n1ccccc1.n1ccccc1.n1ccccc1
• Title of publication: Crystal structure of bis[tris(2,2'-bipyridyl)-(μ-hydroxo)neodymium (III)] tetraiodide pyridine solvate, (C~60~H~50~O~2~N~12~Nd~2~)I~4~ · 3(NC~5~H~5~)
• Authors of publication: Rivière, Christelle; Lance, Monique; Madic, Charles; Ephritikhine, Michel; Nierlich, Martine
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 2
• Pages of publication: 239 - 241
• a: 14.502 ± 0.003 Å
• b: 34.015 ± 0.007 Å
• c: 15.307 ± 0.003 Å
• α: 90°
• β: 100.6 ± 0.03°
• γ: 90°
• Cell volume: 7421.8 ± 2.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1089
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No