Information card for entry 4085448

Structure parameters

• Common name: Moris-121 (Eyal)
• Formula: C48 H48 B3 Nd O15
• Calculated formula: C48 H48 B3 Nd O15
• SMILES: [Nd]12345([O]6c7ccccc7[O]5[B]5([O]4c4c(cccc4)[O]3[B]3([O]2c2c(cccc2)[O]1[B]16Oc2c(cccc2)O1)Oc1ccccc1O3)Oc1ccccc1O5)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Group 4 Lanthanide and Actinide Organometallic Inclusion Complexes
• Authors of publication: Das, Raj K.; Barnea, Eyal; Andrea, Tamer; Kapon, Moshe; Fridman, Natalia; Botoshansky, Mark; Eisen, Moris S.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 4
• Pages of publication: 742
• a: 12.727 ± 0.002 Å
• b: 23.121 ± 0.005 Å
• c: 15.743 ± 0.003 Å
• α: 90°
• β: 98.73 ± 0.02°
• γ: 90°
• Cell volume: 4578.9 ± 1.5 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 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: 0.0934
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No