Information card for entry 2226170

Structure parameters

• Chemical name: Bis(9-aminoacridinium) bis(pyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)nickelate(II) trihydrate
• Formula: C40 H34 N6 Ni O11
• Calculated formula: C40 H34 N6 Ni O11
• SMILES: [Ni]1234(OC(=O)c5[n]3c(ccc5)C(=O)O1)OC(=O)c1[n]4c(ccc1)C(=O)O2.Nc1c2ccccc2[nH+]c2ccccc12.Nc1c2ccccc2[nH+]c2ccccc12.O.O.O
• Title of publication: Bis(9-aminoacridinium) bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)nickelate(II) trihydrate
• Authors of publication: Derikvand, Zohreh; Olmstead, Marilyn M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m642 - m643
• a: 10.7939 ± 0.001 Å
• b: 13.3335 ± 0.0012 Å
• c: 13.937 ± 0.0013 Å
• α: 102.288 ± 0.002°
• β: 103.609 ± 0.002°
• γ: 105.482 ± 0.002°
• Cell volume: 1795.6 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0293
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes