Information card for entry 4322415

Structure parameters

• Chemical name: di-[(N,N'-ethylenebis(salicylideneiminato)nickel(ii)]-tetrahydrofuran-barium (ii)perchlorate
• Formula: C36 H36 Ba Cl2 N4 Ni2 O13
• Calculated formula: C36 H36 Ba Cl2 N4 Ni2 O13
• SMILES: [Ba]123([O]([Ni]456)c7ccccc7C=[N]5CC[N]6=Cc5ccccc5[O]14)([O]([Ni]146)c5ccccc5C=[N]1CC[N]4=Cc1ccccc1[O]26)(OCl(=[O]3)(=O)=O)(OCl(=O)(=O)=O)[O]1CCCC1
• Title of publication: Spectrophotometric Study of the Equilibria between Nickel(II) Schiff-Base Complexes and Alkaline Earth or Nickel(II) Cations in Acetonitrile Solution
• Authors of publication: Laura Carbonaro; Mauro Isola; Piero La Pegna; Lucio Senatore; Fabio Marchetti
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5519 - 5525
• a: 10.995 ± 0.002 Å
• b: 20.83 ± 0.004 Å
• c: 19.567 ± 0.004 Å
• α: 90°
• β: 116.94 ± 0.03°
• γ: 90°
• Cell volume: 3995 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1627
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No