Information card for entry 7021467

Structure parameters

• Formula: C38 H45.5 B2 Cl Co2 F8 N6 O7.25
• Calculated formula: C38 H45.5 B2 Cl Co2 F8 N6 O7.25
• 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: 10.6177 ± 0.0004 Å
• b: 11.6326 ± 0.0004 Å
• c: 18.3035 ± 0.0006 Å
• α: 82.523 ± 0.001°
• β: 84.474 ± 0.001°
• γ: 74.401 ± 0.001°
• Cell volume: 2154.46 ± 0.13 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: 0.0575
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No