Information card for entry 7021329

Structure parameters

• Formula: C30 H26 B2 F8 N8 Zn
• Calculated formula: C30 H26 B2 F8 N8 Zn
• SMILES: c1ccn2c3cccc4C[NH]5c6ccccc6c6ccccc6[NH]6Cc7cccc8[n]7[Zn]56([n]12)([n]34)[n]1cccn81.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Biphenyl bridged hexadentate N6-ligands - a rigid ligand backbone for Fe(ii) spin crossover complexes.
• Authors of publication: Heider, Silvio; Petzold, Holm; Chastanet, Guillaume; Schlamp, Stephan; Rüffer, Tobias; Weber, Birgit; Létard, Jean-François
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 24
• Pages of publication: 8575 - 8584
• a: 20.6854 ± 0.0005 Å
• b: 12.8812 ± 0.0002 Å
• c: 23.2003 ± 0.0005 Å
• α: 90°
• β: 100.953 ± 0.002°
• γ: 90°
• Cell volume: 6069.2 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0625
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No