Information card for entry 4088084

Structure parameters

• Formula: C43 H71 Cl4 O3 Sm3
• Calculated formula: C43 H71 Cl4 O3 Sm3
• SMILES: [Sm]1234567([Cl][Sm]89%10%11%12%13([Cl]3[Sm]3%14%15%16([Cl]2)([Cl]%12)([O]2CCCC2)([CH2]18)[c]1([c]%14(C)[c]%15([c]%16([c]31C)C)C)C)([O]1CCCC1)[c]1([c]9([c]%10([c]%11([c]%131C)C)C)C)C)([O]1CCCC1)[c]1([c]5(C)[c]6([c]7([c]41C)C)C)C
• Title of publication: Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes
• Authors of publication: Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 24
• Pages of publication: 5734
• a: 12.6202 ± 0.0006 Å
• b: 19.9665 ± 0.001 Å
• c: 18.6483 ± 0.001 Å
• α: 90°
• β: 91.146 ± 0.001°
• γ: 90°
• Cell volume: 4698.1 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• 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: 0.0325
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No