Information card for entry 7024833

Structure parameters

• Formula: C70 H101 N6 Sm
• Calculated formula: C70 H101 N6 Sm
• SMILES: [Sm]123([N](=CN1C1CCCCC1)C1CCCCC1)([N](=CN2c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[N](=CN3c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.c1(ccccc1)C
• Title of publication: Steric control of the reduction of carbodiimides by samarium(II) and the synthesis of very crowded samarium(III) complexes.
• Authors of publication: Cole, Marcus L.; Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Polo Cerón, Dorian; Wang, Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 29
• Pages of publication: 6732 - 6738
• a: 13.1079 ± 0.0003 Å
• b: 13.513 ± 0.0003 Å
• c: 18.4697 ± 0.0004 Å
• α: 90.134 ± 0.001°
• β: 92.806 ± 0.001°
• γ: 101.948 ± 0.001°
• Cell volume: 3196.51 ± 0.12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No