Information card for entry 7018947

Structure parameters

• Formula: C32 H23 B2 Cl7 Co F2 N6 O6
• Calculated formula: C32 H23 B2 Cl7 Co F2 N6 O6
• SMILES: [Co]12345[N]6O[B]7(O[N]2=C(C(=[N]3O[B](O[N]1=C(C=6)Cl)(O[N]5=C(C(=[N]4O7)c1ccccc1)c1ccccc1)F)c1ccccc1)c1ccccc1)F.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Synthesis, structure, properties and immobilization on a gold surface of the monoribbed-functionalized tris-dioximate cobalt(ii) clathrochelates and an electrocatalytic hydrogen production from H+ ions
• Authors of publication: Voloshin, Y. Z.; Belov, A. S.; Vologzhanina, A. V.; Aleksandrov, G. G.; Dolganov, A. V.; Novikov, V. V.; Varzatskii, O. A.; Bubnov, Y. N.
• Journal of publication: Dalton Transactions
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 20
• Pages of publication: 6078
• a: 15.485 ± 0.002 Å
• b: 13.6509 ± 0.0018 Å
• c: 17.84 ± 0.003 Å
• α: 90°
• β: 92.809 ± 0.003°
• γ: 90°
• Cell volume: 3766.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.1346
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No