Information card for entry 2207325

Structure parameters

• Chemical name: {2,6-Bis[(dimethylamino)methyl]phenyl-κ^2^N,C^1^,N'}chloronickel(II)
• Formula: C12 H19 Cl N2 Ni
• Calculated formula: C12 H19 Cl N2 Ni
• SMILES: [Ni]12(Cl)[N](C)(C)Cc3c2c(ccc3)C[N]1(C)C
• Title of publication: {2,6-Bis[(dimethylamino)methyl]phenyl-κ^2^<i>N</i>,<i>C</i>^1^,<i>N</i>'}chloronickel(II)
• Authors of publication: Castonguay, Annie; Charbonneau, Fabien; Beauchamp, André L.; Zargarian, Davit
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2240 - m2241
• a: 13.0386 ± 0.0007 Å
• b: 9.0976 ± 0.0005 Å
• c: 11.695 ± 0.0007 Å
• α: 90°
• β: 112.329 ± 0.002°
• γ: 90°
• Cell volume: 1283.24 ± 0.13 ų
• Cell temperature: 473 ± 2 K
• Ambient diffraction temperature: 473 ± 2 K
• Number of distinct elements: 5
• 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: 0.0346
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes