Information card for entry 4080350

Structure parameters

• Formula: C50 H80 Cl2 Nd2 O2 Si4
• Calculated formula: C50 H80 Cl2 Nd2 O2 Si4
• SMILES: [C]12(=[CH]3[CH]4=[CH]5[CH]6=[C]7([CH]8=[CH]1[Nd]12345678([O]2CCCC2)[Cl][Nd]2345678([C]9(=[CH]2[CH]3=[CH]4[CH]5=[C]6([CH]7=[CH]89)[Si](C)(C)C)[Si](C)(C)C)([O]2CCCC2)[Cl]1)[Si](C)(C)C)[Si](C)(C)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Steric Effects in Lanthanide Sandwich Complexes Containing Bulky Cyclooctatetraenyl Ligands
• Authors of publication: Edelmann, Anja; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Blaurock, Steffen; Edelmann, Frank T.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1435
• a: 12.462 ± 0.003 Å
• b: 10.798 ± 0.002 Å
• c: 21.049 ± 0.004 Å
• α: 90°
• β: 102.05 ± 0.03°
• γ: 90°
• Cell volume: 2770 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No