Information card for entry 7049003

Structure parameters

• Formula: C18 H24 N6 O2
• Calculated formula: C18 H24 N6 O2
• Title of publication: Novel primary amide-based cationic metal complexes: green synthesis, crystal structures, Hirshfeld surface analysis and solvent-free cyanosilylation reaction.
• Authors of publication: Markad, Datta; Khullar, Sadhika; Mandal, Sanjay K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 3743 - 3757
• a: 5.9355 ± 0.001 Å
• b: 8.4642 ± 0.0015 Å
• c: 9.507 ± 0.0017 Å
• α: 85.012 ± 0.004°
• β: 72.794 ± 0.003°
• γ: 85.129 ± 0.003°
• Cell volume: 453.64 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0678
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No