Information card for entry 4325077

Structure parameters

• Formula: C52 H44 Br2 N8 Ni2 O4 P2
• Calculated formula: C52 H44 Br2 N8 Ni2 O4 P2
• SMILES: [n]12c(c3[n]([Ni]452([n]2ccccc2c2[n]4cccc2)[O]=P(c2ccccc2)O[Ni]24([n]6ccccc6c6[n]2cccc6)([n]2ccccc2c2[n]4cccc2)[O]=P(c2ccccc2)O5)cccc3)cccc1.[Br-].[Br-]
• Title of publication: New Dinuclear Nickel(II) Complexes: Synthesis, Structure, Electrochemical, and Magnetic Properties
• Authors of publication: Dmitry Yakhvarov; Ekaterina Trofimova; Oleg Sinyashin; Olga Kataeva; Yulia Budnikova; Peter Lönnecke; Evamarie Hey-Hawkins; Andreas Petr; Yulia Krupskaya; Vladislav Kataev; Rüdiger Klingeler; Bernd Büchner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4553 - 4558
• a: 8.5586 ± 0.0002 Å
• b: 11.2437 ± 0.0003 Å
• c: 13.7659 ± 0.0004 Å
• α: 67.18 ± 0.003°
• β: 86.841 ± 0.002°
• γ: 87.092 ± 0.002°
• Cell volume: 1218.53 ± 0.06 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No