Information card for entry 4348855

Structure parameters

• Formula: C32 H44 N4 Ni2 O6
• Calculated formula: C32 H44 N4 Ni2 O6
• SMILES: [O]1=C(C=C(O[Ni]2341[N]1(C)C5c6c(cccc6)[O]3[Ni]36([N]7(C(c8c(cccc8)[O]43)[N]2(CC7)C)C)([N]5(CC1)C)[O]=C(C=C(O6)C)C)C)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: 9.0473 ± 0.0014 Å
• b: 11.725 ± 0.002 Å
• c: 15.177 ± 0.003 Å
• α: 90°
• β: 93.842 ± 0.011°
• γ: 90°
• Cell volume: 1606.4 ± 0.5 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: 0.0529
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No