Information card for entry 7024831

Structure parameters

• Formula: C75 H107 N6 Sm
• Calculated formula: C69 H93 N6 Sm
• SMILES: [Sm]123([N](=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)([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
• 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: 12.4627 ± 0.0001 Å
• b: 42.0049 ± 0.0005 Å
• c: 13.4222 ± 0.0002 Å
• α: 90°
• β: 101.98 ± 0.001°
• γ: 90°
• Cell volume: 6873.41 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No