Information card for entry 7718765

Structure parameters

• Formula: C36 H78 Cl2 N14 Ni2 O15
• Calculated formula: C36 H78 Cl2 N14 Ni2 O15
• Title of publication: Transition metal(IV) complexes of nitro-substituted 2,4,9-triazaadamantane-based tris-hydroxylamines: evidence for nitrogen α-effect on stabilization of higher oxidation states.
• Authors of publication: Pospelov, Evgeny V.; Sinyushin, Kirill I.; Golovanov, Ivan S.; Lesnikov, Vladislav K.; Frolov, Kirill V.; Nelyubina, Yulia V.; Sukhorukov, Alexey Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 24
• Pages of publication: 9530 - 9541
• a: 18.3078 ± 0.0001 Å
• b: 13.5183 ± 0.0001 Å
• c: 21.2684 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5263.72 ± 0.07 ų
• Cell temperature: 99.97 ± 0.12 K
• Ambient diffraction temperature: 99.97 ± 0.12 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1815
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No