Information card for entry 7710807

Structure parameters

• Formula: C28 H60 I2 N10 Sm
• Calculated formula: C28 H60 I2 N10 Sm
• Title of publication: Solid-state and solution-phase characterization of Sm^II-aza[2.2.2]cryptate and its methylated analogue.
• Authors of publication: Bokouende, Sergely Steephen; Jenks, Tyler C.; Ward, Cassandra L.; Allen, Matthew J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 29
• Pages of publication: 10852 - 10855
• a: 19.4034 ± 0.0011 Å
• b: 18.0204 ± 0.001 Å
• c: 10.3393 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3615.2 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No