Information card for entry 7701532

Structure parameters

• Formula: C36 H32 Cl2 N16 Ni2 O12
• Calculated formula: C36 H32 Cl2 N16 Ni2 O12
• Title of publication: Structural and magnetic characterization of Ni(ii), Co(ii), and Fe(ii) binuclear complexes on a bis(pyridyl-triazolyl)alkane basis.
• Authors of publication: Gusev, Alexey; Nemec, Ivan; Herchel, Radovan; Riush, Irina; Titiš, Ján; Boča, Roman; Lyssenko, Konstantin; Kiskin, Mikhail; Eremenko, Igor; Linert, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 28
• Pages of publication: 10526 - 10536
• a: 12.3683 ± 0.0003 Å
• b: 15.2467 ± 0.0003 Å
• c: 16.1543 ± 0.0004 Å
• α: 90°
• β: 128.416 ± 0.002°
• γ: 90°
• Cell volume: 2386.84 ± 0.12 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: 0.0647
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No