Information card for entry 7045157

Structure parameters

• Formula: C32.5 H29.5 N5.5 Ni O5
• Calculated formula: C32.5 H29.5 N5.5 Ni O5
• Title of publication: Design, synthesis, and evaluation of nickel dipyridylmethane complexes for Coordination-Induced Spin State Switching (CISSS).
• Authors of publication: Klaß, Michaela; Krahmer, Jan; Näther, Christian; Tuczek, Felix
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 4
• Pages of publication: 1261 - 1275
• a: 11.4677 ± 0.0002 Å
• b: 16.1148 ± 0.0004 Å
• c: 15.6428 ± 0.0004 Å
• α: 90°
• β: 90.183 ± 0.002°
• γ: 90°
• Cell volume: 2890.77 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0424
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No