Information card for entry 2219236

Structure parameters

• Chemical name: Dichlorido(dimethylformamide-κ<i>O</i>)[1,4,7-tris(2-cyanoethyl)-1,4,7- triazacyclononane-κ^3^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^7^]nickel(II)
• Formula: C18 H31 Cl2 N7 Ni O
• Calculated formula: C18 H31 Cl2 N7 Ni O
• SMILES: C1C[N]2(CC[N]3(CC[N]1(CCC#N)[Ni]23(Cl)(Cl)[O]=CN(C)C)CCC#N)CCC#N
• Title of publication: Dichlorido(dimethylformamide-κ<i>O</i>)[1,4,7-tris(2-cyanoethyl)-1,4,7-triazacyclononane-κ^3^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^7^]nickel(II)
• Authors of publication: Zhang, Zhong; Wu, Li-Zhen; Geng, Zhi-Rong; Wang, Zhi-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1114 - m1115
• a: 9.7657 ± 0.001 Å
• b: 19.698 ± 0.002 Å
• c: 12.3504 ± 0.0013 Å
• α: 90°
• β: 97.676 ± 0.002°
• γ: 90°
• Cell volume: 2354.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Cell measurement pressure: 101 ± 2 kPa
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes