Information card for entry 7050617

Structure parameters

• Chemical name: Bis-4-hydroxy-acridinate-ethylenediaminenickel(II)
• Formula: C28 H24 N4 Ni O2
• Calculated formula: C28 H24 N4 Ni O2
• SMILES: c12c3cc4c([n]1[Ni]15([NH2]CC[NH2]1)(Oc2ccc3)[n]1c2c(cc3ccccc13)cccc2O5)cccc4
• Title of publication: Synthesis and characterization of new transition metal complexes containing DNA intercalators of the acridine family
• Authors of publication: Crispini, Alessandra; Pucci, Daniela; Sessa, Stefania; Cataldi, Antonella; Napoli, Anna; Valentini, Alessandra; Ghedini, Mauro
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 10
• Pages of publication: 1497
• a: 18.18 ± 0.004 Å
• b: 12.346 ± 0.003 Å
• c: 10.68 ± 0.002 Å
• α: 90°
• β: 108.95 ± 0.03°
• γ: 90°
• Cell volume: 2267.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No