Information card for entry 2206271

Structure parameters

• Chemical name: trans-trans-trans-Dibromobis(4-fluoroaniline)bis(acetonitrile)nickel(II)
• Formula: C16 H18 Br2 F2 N4 Ni
• Calculated formula: C16 H18 Br2 F2 N4 Ni
• SMILES: c1(ccc(cc1)F)[NH2][Ni](Br)([NH2]c1ccc(cc1)F)([N]#CC)([N]#CC)Br
• Title of publication: <i>trans</i>,<i>trans</i>,<i>trans</i>-Diacetonitriledibromobis(4-fluoroaniline)nickel(II)
• Authors of publication: John Fawcett; Fabrizio Sicilia; Gregory A Solan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1256 - m1257
• a: 11.4533 ± 0.0014 Å
• b: 12.9875 ± 0.0015 Å
• c: 6.259 ± 0.0007 Å
• α: 90°
• β: 99.191 ± 0.002°
• γ: 90°
• Cell volume: 919.07 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0294
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes