Information card for entry 7058656

Structure parameters

• Formula: C10 H18 Br2 N4 Ni P2
• Calculated formula: C10 H18 Br2 N4 Ni P2
• Title of publication: Synthesis and coordination properties of new σ2,λ3-P/N switchable chelators based on [1,2,3]-diazaphosphole
• Authors of publication: Kozáček, Pavel; Dostál, Libor; Růžička, Aleš; Císařová, Ivana; Černošek, Zdeněk; Erben, Milan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 34
• Pages of publication: 13388
• a: 29.007 ± 0.0014 Å
• b: 8.7064 ± 0.0003 Å
• c: 14.4253 ± 0.0006 Å
• α: 90°
• β: 107.572 ± 0.002°
• γ: 90°
• Cell volume: 3473.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No