Information card for entry 7122542

Structure parameters

• Formula: C80 H96 N4 Na2 O2 Tm2
• Calculated formula: C80 H96 N4 Na2 O2 Tm2
• SMILES: [Tm]12345([O]6CCCC6)[c]67[cH]3[cH]2[cH]1c1c7c(C2=C6N(c3c(cccc3C(C)C)C(C)C)[Tm]367(N2c2c(cccc2C(C)C)C(C)C)([O]2CCCC2)[c]28[cH]7[cH]6[cH]3c3c8c(C(=C2N5c2c(cccc2C(C)C)C(C)C)N4c2c(cccc2C(C)C)C(C)C)ccc3)ccc1.[Na+].[Na+]
• Title of publication: Ca(ii), Yb(ii) and Tm(iii) complexes with tri- and tetra-anions of 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene.
• Authors of publication: Fedushkin, Igor L.; Lukina, Daria A.; Skatova, Alexandra A.; Lukoyanov, Anton N.; Cherkasov, Anton V.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 92
• Pages of publication: 12950 - 12953
• a: 13.694 ± 0.003 Å
• b: 16.73 ± 0.004 Å
• c: 14.7 ± 0.003 Å
• α: 90°
• β: 91.656 ± 0.006°
• γ: 90°
• Cell volume: 3366.4 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No