Information card for entry 7034539

Structure parameters

• Formula: C44 H82 N6 Ni O4
• Calculated formula: C44 H82 N6 Ni O4
• SMILES: C1(=O)C(=O)N(C)[Ni]23N(C(=O)C(=O)N3C)c3c(cccc3)N12.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: Magnetic superexchange interactions: trinuclear bis(oxamidato) versus bis(oxamato) type complexes.
• Authors of publication: Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Zaripov, Ruslan; Vavilova, Evgeniya; Voronkova, Violeta; Salikov, Kev; Hahn, Torsten; Kortus, Jens; Eya'ane Meva, Francois; Schaarschmidt, Dieter; Rüffer, Tobias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 8062 - 8079
• a: 10.7113 ± 0.0007 Å
• b: 14.3928 ± 0.0007 Å
• c: 15.4664 ± 0.0008 Å
• α: 99.599 ± 0.004°
• β: 90.861 ± 0.005°
• γ: 102.525 ± 0.005°
• Cell volume: 2291.8 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No