Information card for entry 7018950

Structure parameters

• Formula: C50 H50 B2 Co F2 N6 O8
• Calculated formula: C50 H50 B2 Co F2 N6 O8
• SMILES: [Co]12345[N]6O[B]7(F)O[N]2=C(C(=[N]3O[B](F)(O[N]1=C(OCCCC)C=6OCCCC)O[N]5=C(C(=[N]4O7)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1
• 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: 12.3008 ± 0.0012 Å
• b: 14.607 ± 0.002 Å
• c: 26.589 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4777.5 ± 1.1 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: 0.0805
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No