Information card for entry 4348856

Structure parameters

• Formula: C36 H40 N4 Ni2 O6
• Calculated formula: C36 H40 N4 Ni2 O6
• SMILES: c12ccccc2C2[N]3([Ni]4567([O]1[Ni]187([N]7(C(c9c(cccc9)[O]61)[N]5(CC7)C)C)([N]2(CC3)C)Oc1ccccc1C=[O]8)Oc1ccccc1C=[O]4)C
• Title of publication: Predetermined Ferromagnetic Coupling via Strict Control of M-O-M Angles.
• Authors of publication: Fondo, Matilde; Doejo, Jesús; García-Deibe, Ana M; Sanmartín-Matalobos, Jesús; Vicente, Ramón; El-Fallah, Mohamed S; Amoza, Martín; Ruiz, Eliseo
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 22
• Pages of publication: 11707 - 11715
• a: 9.8691 ± 0.0004 Å
• b: 8.757 ± 0.0004 Å
• c: 18.9882 ± 0.0007 Å
• α: 90°
• β: 92.231 ± 0.002°
• γ: 90°
• Cell volume: 1639.79 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No