Information card for entry 7050385

Structure parameters

• Chemical name: [8-(3'-(3,5-dibenzyloxy-benzyloxy)-2'-hydroxyphenyl)- (5,6)-benzo-4,7-diazaocta-2,7-dien-1-onato(2-)]nickel(II)
• Formula: C44 H36 N2 Ni O5
• Calculated formula: C44 H36 N2 Ni O5
• SMILES: [Ni]123[N](c4c([N]3=Cc3c(O1)c(OCc1cc(OCc5ccccc5)cc(OCc5ccccc5)c1)ccc3)cccc4)=C(C=C(O2)c1ccccc1)C
• Title of publication: New unsymmetrical Schiff base Ni(II) complexes as scaffolds for dendritic and amino acid superstructures
• Authors of publication: Dariusz Pawlica; Marek Marszałek; Grzegorz Mynarczuk; Lesław Sieroń; Julita Eilmes
• Journal of publication: New J. Chem.
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 1615 - 1621
• a: 7.2878 ± 0.0005 Å
• b: 14.4364 ± 0.0008 Å
• c: 17.4246 ± 0.001 Å
• α: 72.557 ± 0.005°
• β: 85.278 ± 0.005°
• γ: 82.046 ± 0.005°
• Cell volume: 1730.49 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 0.675
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No