Information card for entry 7022372

Structure parameters

• Formula: C18 H23 N5 O4
• Calculated formula: C18 H23 N5 O4
• SMILES: NC(N=C(N)Nc1cc(cc(c1)OC)OC)=Nc1cc(cc(c1)OC)OC
• 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: 8.961 ± 0.002 Å
• b: 10.019 ± 0.002 Å
• c: 10.989 ± 0.002 Å
• α: 75.65 ± 0.011°
• β: 75.016 ± 0.011°
• γ: 80.808 ± 0.013°
• Cell volume: 918.5 ± 0.3 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No