Information card for entry 4076799

Structure parameters

• Formula: C52 H57 La O2.5
• Calculated formula: C52 H57 La O2.5
• SMILES: [La]123456789%10%11%12%13([cH]%14[c]%11(C(C%11c%15c(c%16ccccc%11%16)cccc%15)(C)C)[cH]%10[cH]2[cH]1%14)([O]1CCCC1)[c]12cccc[c]1%12[c]1%13cccc[c]41[c]32C([c]15[cH]6[cH]7[cH]8[cH]91)(C)C.O1CCCC1.O1CCCC1
• Title of publication: Amine Elimination Reactions between Homoleptic Silylamide Lanthanide Complexes and an Isopropylidene-Bridged Cyclopentadiene−Fluorene System
• Authors of publication: Dash, Aswini K.; Razavi, Abbas; Mortreux, André; Lehmann, Christian W.; Carpentier, Jean-François
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 15
• Pages of publication: 3238
• a: 19.0242 ± 0.0007 Å
• b: 16.7576 ± 0.0006 Å
• c: 13.3536 ± 0.0005 Å
• α: 90°
• β: 90.774 ± 0.001°
• γ: 90°
• Cell volume: 4256.7 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1181
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.2177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No