Information card for entry 1573820

Structure parameters

• Formula: C71 H79 Br3 Cl N19 Ni3 O9
• Calculated formula: C71 H77 Br3 Cl N19 Ni3 O9
• Title of publication: Spin Interactions and Magnetic Anisotropy in a Triangular Nickel(II) Complex with Triaminoguanidine Ligand Framework
• Authors of publication: Michael Böhme; Dirk Schuch; Axel Buchholz; Helmar Görls; Winfried Plass
• Journal of publication: Zeitschrift fuer Anorganische und Allgemeine Chemie
• Year of publication: 2020
• Journal volume: 646
• Journal issue: 3
• Pages of publication: 166 - 174
• a: 12.5258 ± 0.0004 Å
• b: 18.0165 ± 0.0007 Å
• c: 20.8704 ± 0.0009 Å
• α: 70.691 ± 0.002°
• β: 73.096 ± 0.002°
• γ: 84.678 ± 0.002°
• Cell volume: 4252.8 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1375
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No