Information card for entry 2208954

Structure parameters

• Chemical name: Bis[1-(3-dimethylaminopropyliminomethyl)naphtholato]nickel(II) bis(perchlorate)
• Formula: C32 H40 Cl2 N4 Ni O10
• Calculated formula: C32 H40 Cl2 N4 Ni O10
• SMILES: [O-]Cl(=O)(=O)=O.[Ni]12(Oc3c(c4c(cc3)cccc4)C=[N]1CCC[NH+](C)C)[N](=Cc1c(ccc3ccccc13)O2)CCC[NH+](C)C.[O-]Cl(=O)(=O)=O
• Title of publication: Bis{1-[3-(dimethylamino)propyliminomethyl]naphtholato}nickel(II) bis(perchlorate)
• Authors of publication: Zhong-Lu You
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1097 - m1099
• a: 12.218 ± 0.002 Å
• b: 9.648 ± 0.001 Å
• c: 14.974 ± 0.002 Å
• α: 90°
• β: 103.016 ± 0.001°
• γ: 90°
• Cell volume: 1719.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes