Information card for entry 7700312

Structure parameters

• Formula: C36 H58 N2 Ni O2
• Calculated formula: C36 H58 N2 Ni O2
• Title of publication: Tetrahedral nickel(ii) and cobalt(ii) bis-o-iminobenzosemiquinonates.
• Authors of publication: Ershova, Irina V.; Smolyaninov, Ivan V.; Bogomyakov, Artem S.; Fedin, Matvey V.; Starikov, Andrey G.; Cherkasov, Anton V.; Fukin, Georgy K.; Piskunov, Alexandr V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 28
• Pages of publication: 10723 - 10732
• a: 10.7752 ± 0.0006 Å
• b: 11.5077 ± 0.0006 Å
• c: 15.6525 ± 0.0013 Å
• α: 79.537 ± 0.006°
• β: 76.217 ± 0.007°
• γ: 72.44 ± 0.005°
• Cell volume: 1784.5 ± 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: 0.108
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1573
• 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: No
• Has Fobs: No