Information card for entry 7701522

Structure parameters

• Formula: C46 H60 N2 Ni O4
• Calculated formula: C46 H60 N2 Ni O4
• 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: 9.9531 ± 0.0005 Å
• b: 10.9403 ± 0.0006 Å
• c: 19.9308 ± 0.0011 Å
• α: 90.413 ± 0.001°
• β: 101.939 ± 0.001°
• γ: 95.382 ± 0.001°
• Cell volume: 2113.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No