Information card for entry 7021470

Structure parameters

• Formula: C47 H46 Cl2 Co2 N6 O13
• Calculated formula: C47 H46 Cl2 Co2 N6 O13
• 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: 26.3433 ± 0.0011 Å
• b: 18.4942 ± 0.0007 Å
• c: 21.7739 ± 0.001 Å
• α: 90°
• β: 109.509 ± 0.002°
• γ: 90°
• Cell volume: 9999.2 ± 0.7 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No