Information card for entry 2209361

Structure parameters

• Chemical name: Bis[(imidazol-4-ylmethyl)(2-pyridylmethyl)amine-κ^3^N,N',N'']nickel(II) dichloride dihydrate
• Formula: C20 H28 Cl2 N8 Ni O2
• Calculated formula: C20 H28 Cl2 N8 Ni O2
• SMILES: c1cccc2C[NH]3Cc4c[nH]c[n]4[Ni]453([n]12)[n]1ccccc1C[NH]4Cc1c[nH]c[n]51.[Cl-].O.[Cl-].O
• Title of publication: Bis[(imidazol-4-ylmethyl)(2-pyridylmethyl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']nickel(II) dichloride dihydrate
• Authors of publication: Hsiao-Ting Wong; Yong-Yi Song; Michael Y. Chiang; Wen-Feng Zeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1237 - m1238
• a: 8.7738 ± 0.0018 Å
• b: 19.066 ± 0.004 Å
• c: 7.9456 ± 0.0016 Å
• α: 90°
• β: 114.09 ± 0.03°
• γ: 90°
• Cell volume: 1213.4 ± 0.5 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: 0.044
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes