Information card for entry 7022375

Structure parameters

• Formula: C14 H13 Br2 N5
• Calculated formula: C14 H13 Br2 N5
• SMILES: NC(=NC(N)=Nc1ccc(cc1)Br)Nc1ccc(cc1)Br
• Title of publication: 1,5-Diarylbiguanides and their nickel(II) complexes.
• Authors of publication: McMorran, David A.; McAdam, C. John; van der Salm, Holly; Gordon, Keith C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 8
• Pages of publication: 2948 - 2962
• a: 6.351 ± 0.005 Å
• b: 8.876 ± 0.005 Å
• c: 26.832 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1512.6 ± 1.5 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No