Information card for entry 7030930

Structure parameters

• Formula: C40 H42 N16 O2
• Calculated formula: C40 H42 N16 O2
• SMILES: C(c1cccc(/C=N/N(C)c2cc(nc(C)n2)N(C)/N=C/c2cc(/C=N/N(C)c3cc(nc(C)n3)N(C)/N=C/c3cccc(CO)n3)nc(c3ccccc3)n2)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: 33.8887 ± 0.0017 Å
• b: 33.8887 Å
• c: 15.8396 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18190.9 ± 1.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1621
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No