Information card for entry 2224403

Structure parameters

• Chemical name: <i>trans</i>-Diacetonitriletetrakis(1<i>H</i>-pyrazole-κ<i>N</i>^2^)nickel(II) dinitrate
• Formula: C16 H22 N12 Ni O6
• Calculated formula: C16 H22 N12 Ni O6
• SMILES: c1cc[nH][n]1[Ni]([n]1ccc[nH]1)([N]#CC)([n]1ccc[nH]1)([n]1ccc[nH]1)[N]#CC.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: <i>trans</i>-Diacetonitriletetrakis(1<i>H</i>-pyrazole-κ<i>N</i>^2^)nickel(II) dinitrate
• Authors of publication: Chen, Chien-Hong; Hsieh, Chang-Chih; Lee, Hon Man; Horng, Yih-Chern
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1680
• a: 9.9815 ± 0.0005 Å
• b: 15.2831 ± 0.0008 Å
• c: 7.6845 ± 0.0004 Å
• α: 90°
• β: 98.817 ± 0.002°
• γ: 90°
• Cell volume: 1158.4 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0647
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes