Information card for entry 7055560

Structure parameters

• Formula: C50 H42 Fe2 N4 Ni2 O4
• Calculated formula: C50 H42 Fe2 N4 Ni2 O4
• SMILES: [Ni]12([N](=C(C=C(O1)[c]13[Fe]456789%10([cH]%11[cH]7[cH]6[cH]5[cH]4%11)[cH]1[cH]8[cH]9[cH]3%10)C)c1ccccc1O2)[n]1ccc(cc1)c1cc[n]([Ni]23OC(=CC(=[N]2c2ccccc2O3)C)[c]23[cH]4[Fe]56789%102([cH]2[cH]5[cH]6[cH]7[cH]82)[cH]3[cH]9[cH]4%10)cc1
• Title of publication: Efficient preparation of multimetallic ONO-based Schiff base complexes of nickel(ii) and copper(ii)
• Authors of publication: Novoa, Néstor; Roisnel, Thierry; Dorcet, Vincent; Cador, Olivier; Manzur, Carolina; Carrillo, David; Hamon, Jean-René
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 5920
• a: 7.1379 ± 0.0003 Å
• b: 26.0949 ± 0.0011 Å
• c: 21.8414 ± 0.0007 Å
• α: 90°
• β: 95.142 ± 0.001°
• γ: 90°
• Cell volume: 4051.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1026
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No