Information card for entry 4300874

Structure parameters

• Common name: [Ni(L)(iPrNH2)]
• Formula: C18 H24 N6 Ni O
• Calculated formula: C18 H24 N6 Ni O
• SMILES: [Ni]12(NC(=C([N]2=Cc2c(O1)cc(N(CC)CC)cc2)C#N)C#N)[NH2]C(C)C
• Title of publication: Synthesis, Crystal Structures, and Nonlinear Optical (NLO) Properties of New Schiff-Base Nickel(II) Complexes. Toward a New Type of Molecular Switch?
• Authors of publication: Costes, Jean-Pierre; Lamére, Jean-François; Lepetit, Christine; Lacroix, Pascal G.; Dahan, Françoise; Nakatani, Keitaro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 6
• Pages of publication: 1973 - 1982
• a: 10.5988 ± 0.0011 Å
• b: 14.1297 ± 0.0012 Å
• c: 13.02 ± 0.0014 Å
• α: 90°
• β: 100.79 ± 0.013°
• γ: 90°
• Cell volume: 1915.4 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Duplicate of: 4300871
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No