Information card for entry 7704272

Structure parameters

• Formula: C25 H34 Br F6 N2 Ni O P
• Calculated formula: C25 H34 Br F6 N2 Ni O P
• Title of publication: Synthesis and reactivity of cyclobutadiene nickel bromide.
• Authors of publication: Shvydkiy, Nikita V.; Dlin, Egor A.; Ivanov, Klimentiy V.; Buyanovskaya, Anastasiya G.; Nelyubina, Yulia V.; Perekalin, Dmitry S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 20
• Pages of publication: 6801 - 6806
• a: 19.2163 ± 0.0003 Å
• b: 12.0734 ± 0.0002 Å
• c: 12.3104 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2856.09 ± 0.08 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No