Information card for entry 4305061

Structure parameters

• Formula: C37 H45 Cl2 N4 O2 Y
• Calculated formula: C37 H45 Cl2 N4 O2 Y
• Title of publication: Versatile Scorpionates and New Developments in the Denticity Changes of NNCp Hybrid Scorpionate/Cyclopentadienyl Ligands in Sc and Y Compounds: From κ1-Nη5-Cp to κ2-NNη5-Cp
• Authors of publication: Antonio Otero; Juan Fernández-Baeza; Agustín Lara-Sánchez; Antonio Antiñolo; Juan Tejeda; Emilia Martínez-Caballero; Isabel Márquez-Segovia; Isabel López-Solera; Luis F. Sánchez-Barba; Carlos Alonso-Moreno
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4996 - 5005
• a: 21.111 ± 0.006 Å
• b: 8.692 ± 0.003 Å
• c: 20.747 ± 0.006 Å
• α: 90°
• β: 113.315 ± 0.004°
• γ: 90°
• Cell volume: 3496.1 ± 1.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1234
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 0.728
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No