Information card for entry 7116568

Structure parameters

• Formula: C94 H136 N4 O4.5 Sm2
• Calculated formula: C76 H100 N4 Sm2
• Title of publication: Reversible C‒C coupling in phenanthroline complexes of divalent samarium and thulium
• Authors of publication: Nocton, Grégory; Ricard, Louis
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 17
• Pages of publication: 3578 - 3581
• a: 10.9726 ± 0.0002 Å
• b: 18.7116 ± 0.0003 Å
• c: 19.7467 ± 0.0003 Å
• α: 90°
• β: 91.3117 ± 0.0009°
• γ: 90°
• Cell volume: 4053.23 ± 0.12 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0654
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No