Information card for entry 7203959

Structure parameters

• Formula: C36 H40 N4 Ni O2
• Calculated formula: C36 H40 N4 Ni O2
• SMILES: [Ni]123Oc4cc(ccc4C=[N]2[C@H](c2ccccc2)[C@H]([N]3=Cc2c(cc(cc2)N(CC)CC)O1)c1ccccc1)N(CC)CC
• Title of publication: Synthesis, crystal structure and solid state NLO properties of a new chiral bis(salicylaldiminato)nickel(ii) Schiff-base complex in a nearly optimized solid state environment
• Authors of publication: Averseng, Frédéric; Lacroix, Pascal G.; Malfant, Isabelle; Dahan, Françoise; Nakatani, Keitaro
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2000
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 1013
• a: 13.66 ± 0.002 Å
• b: 10.601 ± 0.002 Å
• c: 12.34 ± 0.002 Å
• α: 90°
• β: 112.086 ± 0.011°
• γ: 90°
• Cell volume: 1655.83 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.0568
• Goodness-of-fit parameter for all reflections: 1.076
• Goodness-of-fit parameter for significantly intense reflections: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No