Information card for entry 7011870

Structure parameters

• Formula: C53 H56 Lu N O4 Si2
• Calculated formula: C53 H56 Lu N O4 Si2
• SMILES: [Lu]123(N([SiH](C)C)[SiH](C)C)Oc4c5cccc4Cc4cccc(c4[O]1Cc1ccccc1)Cc1cccc(c1O2)Cc1cccc(c1[O]3Cc1ccccc1)C5.Cc1ccccc1
• Title of publication: O-Benzylated-calix[4]arenes as ancillary ligands in organolanthanide chemistry
• Authors of publication: Estler, Frank; Herdtweck, Eberhardt; Anwander, Reiner
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 16
• Pages of publication: 3088
• a: 11.3794 ± 0.0001 Å
• b: 14.0015 ± 0.0002 Å
• c: 16.9067 ± 0.0003 Å
• α: 69.3972 ± 0.0006°
• β: 75.8968 ± 0.0006°
• γ: 69.8248 ± 0.0008°
• Cell volume: 2343.69 ± 0.06 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No