Information card for entry 4347185

Structure parameters

• Formula: C34 H48 Cl2 Li2 N4 O2 Th
• Calculated formula: C34 H48 Cl2 Li2 N4 O2 Th
• SMILES: [Th]123456([Cl][Li]78([O]9CCCC9)[n]91[c]3(ccc9C)C(C)(C)[c]18ccc([n]271)C)[Cl][Li]12([O]3CCCC3)[n]34[c]6(ccc3C)C(C)(C)[c]32ccc([n]513)C
• Title of publication: Synthesis of Coordinatively Unsaturated Tetravalent Actinide Complexes with η(5) Coordination of Pyrrole.
• Authors of publication: Batrice, Rami J.; Fridman, Natalia; Eisen, Moris S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 2998 - 3006
• a: 20.753 ± 0.004 Å
• b: 10.15 ± 0.006 Å
• c: 17.081 ± 0.003 Å
• α: 90°
• β: 98.18 ± 0.013°
• γ: 90°
• Cell volume: 3561 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No