Information card for entry 7701525

Structure parameters

• Formula: C78 H120 N2 Ni O6
• Calculated formula: C78 H120 N2 Ni O6
• Title of publication: Novel dioxolene nickel complexes with sterically hindered diazabutadienes. Coupling of aza-ligands coordinated to nickel.
• Authors of publication: Bubnov, Michael P.; Cherkasov, Vladimir K.; Teplova, Irina A.; Druzhkov, Nickolay O.; Grishin, Ivan D.; Baranov, Evgenii V.; Bogomyakov, Artem S.; Abakumov, Gleb A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 28
• Pages of publication: 10516 - 10525
• a: 21.479 ± 0.003 Å
• b: 14.943 ± 0.002 Å
• c: 23.534 ± 0.004 Å
• α: 90°
• β: 92.81 ± 0.003°
• γ: 90°
• Cell volume: 7544.4 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1854
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No