Information card for entry 7047686

Structure parameters

• Formula: C49 H41 N5 Se4 Th
• Calculated formula: C49 H41 N5 Se4 Th
• Title of publication: Monomeric thorium chalcogenolates with bipyridine and terpyridine ligands.
• Authors of publication: Ringgold, Marissa; Wu, Wen; Stuber, Matthew; Kornienko, Anna Y.; Emge, Thomas J.; Brennan, John G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 41
• Pages of publication: 14652 - 14661
• a: 20.895 ± 0.002 Å
• b: 9.4734 ± 0.0011 Å
• c: 22.815 ± 0.003 Å
• α: 90°
• β: 100.916 ± 0.0014°
• γ: 90°
• Cell volume: 4434.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0572
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No