Information card for entry 7024835

Structure parameters

• Formula: C83 H97 D6 N6 Sm
• Calculated formula: C83 H103 N6 Sm
• 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: 12.6946 ± 0.0002 Å
• b: 24.0285 ± 0.0004 Å
• c: 24.4564 ± 0.0004 Å
• α: 90°
• β: 102.565 ± 0.001°
• γ: 90°
• Cell volume: 7281.3 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No