Information card for entry 7704273

Structure parameters

• Formula: C50 H64 Br4 Ni2 P2
• Calculated formula: C50 H64 Br4 Ni2 P2
• 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: 14.526 ± 0.0009 Å
• b: 16.9081 ± 0.0011 Å
• c: 17.1531 ± 0.0011 Å
• α: 90°
• β: 143.607 ± 0.001°
• γ: 90°
• Cell volume: 2499.6 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No