Information card for entry 7038961

Structure parameters

• Formula: C38 H40 B Cl6 Co F4 N5 O3
• Calculated formula: C38 H40 B Cl6 Co F4 N5 O3
• Title of publication: Probing bistability in Fe(II) and Co(II) complexes with an unsymmetrically substituted quinonoid ligand.
• Authors of publication: van der Meer, Margarethe; Rechkemmer, Yvonne; Breitgoff, Frauke D.; Dechert, Sebastian; Marx, Raphael; Dörfel, María; Neugebauer, Petr; van Slageren, Joris; Sarkar, Biprajit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8394 - 8403
• a: 15.925 ± 0.003 Å
• b: 15.36 ± 0.003 Å
• c: 17.764 ± 0.003 Å
• α: 90°
• β: 92.216 ± 0.004°
• γ: 90°
• Cell volume: 4342 ± 1.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 8
• 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: 0.0946
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No