Information card for entry 7001798

Structure parameters

• Formula: C134 H72 Cl4 Co N6 Na O6
• Calculated formula: C134 H72 Cl4 Co N6 Na O6
• SMILES: C1C[O]2CC[O]3[Na]456782[N]21CC[O]5CC[O]7CC[N]4(CC3)CC[O]8CC[O]6CC2.[Co]123([n]4c5=C(c6n1c(C(=c1[n]2c(C(=c2n3c(cc2)=C(c4cc5)c2ccccc2)c2ccccc2)cc1)c1ccccc1)cc6)c1ccccc1)[c]12c3c4c5c1c1c6c7c8c1c1c2c2c9c%10c%11c%12c%13c%14c%15c%16c%17c%14c%14c%18c%19c%20c%21c%22c(c%23c(c%11c(c19)c8%23)c(c%18%22)c%12%14)c7c%21c1c7c%20c(c8c(c7c5c61)c4c(c%168)c1c3c2c(c%10%13)c%151)c%17%19.c1(c(cccc1)Cl)Cl.c1(c(cccc1)Cl)Cl
• Title of publication: Effect of the Co‒C(C60−) bond formation on magnetic properties of the ionic complex {cryptand[2,2,2]·(Na+)}·{CoIITPP·(C60−)}·(C6H4Cl2)2
• Authors of publication: Konarev, Dmitri V.; Khasanov, Salavat S.; Otsuka, Akihiro; Saito, Gunzi; Lyubovskaya, Rimma N.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 32
• Pages of publication: 6416 - 6420
• a: 18.418 ± 0.001 Å
• b: 19.903 ± 0.001 Å
• c: 25.127 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9210.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No