Information card for entry 7037987

Structure parameters

• Formula: C96 H164 N8 O8 Sm2
• Calculated formula: C96 H164 N8 O8 Sm2
• SMILES: C1CC[N]2(CC[N]34CCCN(CC[N]51Cc1cc(cc(c1O[Sm]245(Oc1c(C3)cc(cc1C(C)(C)C)C(C)(C)C)O[Sm]1234[N]5(CCC[N]1(CC[N]2(CCCN(CC5)C)Cc1cc(cc(c1O4)C(C)(C)C)C(C)(C)C)C)Cc1cc(cc(c1O3)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C)C.O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: A novel samarium(ii) complex bearing a dianionic bis(phenolate) cyclam ligand: synthesis, structure and electron-transfer reactions.
• Authors of publication: Maria, Leonor; Soares, Marina; Santos, Isabel C.; Sousa, Vânia R; Mora, Elsa; Marçalo, Joaquim; Luzyanin, Konstantin V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 9
• Pages of publication: 3778 - 3790
• a: 20.7329 ± 0.0014 Å
• b: 30.8997 ± 0.0019 Å
• c: 15.2338 ± 0.001 Å
• α: 90°
• β: 97.093 ± 0.002°
• γ: 90°
• Cell volume: 9684.7 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1164
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No