Information card for entry 7030929

Structure parameters

• Formula: C14 H19 N7 O
• Calculated formula: C14 H19 N7 O
• SMILES: C(c1cccc(/C=N/N(C)c2cc(nc(C)n2)N(C)N)n1)O
• Title of publication: Tetratopic pyrimidine-hydrazone ligands modified with terminal hydroxymethyl and acryloyl arms and their Pb(ii), Zn(ii), Cu(ii) and Ag(i) complexes.
• Authors of publication: Hutchinson, Daniel J.; Hanton, Lyall R.; Moratti, Stephen C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 22
• Pages of publication: 8205 - 8218
• a: 11.7201 ± 0.0015 Å
• b: 8.1454 ± 0.001 Å
• c: 15.683 ± 0.003 Å
• α: 90 ± 0.005°
• β: 100.962 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1469.9 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No