Information card for entry 7021468

Structure parameters

• Formula: C38 H42.5 B2 Cl2 Co2 F8 N6 O6.25
• Calculated formula: C38 H42.5 B2 Cl2 Co2 F8 N6 O6.25
• Title of publication: Tuning affinity and reversibility for O2 binding in dinuclear Co(ii) complexes.
• Authors of publication: Vad, Mads S.; Johansson, Frank B.; Seidler-Egdal, Rune Kirk; McGrady, John E.; Novikov, Sergey M.; Bozhevolnyi, Sergey I.; Bond, Andrew D.; McKenzie, Christine J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 27
• Pages of publication: 9921 - 9929
• a: 10.6153 ± 0.0012 Å
• b: 11.3123 ± 0.0015 Å
• c: 18.84 ± 0.002 Å
• α: 81.346 ± 0.005°
• β: 83.427 ± 0.005°
• γ: 75.393 ± 0.004°
• Cell volume: 2157.4 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1251
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No