Information card for entry 4315352

Structure parameters

• Formula: C119 H176 Co2 K3 N9 O35.5
• Calculated formula: C119 H176 Co2 K3 N9 O35.5
• Title of publication: Cofacial Dicobalt Complex of a Binucleating Hexacarboxamide Cryptand Ligand
• Authors of publication: Glen E. Alliger; Peter Müller; Christopher C. Cummins; Daniel G. Nocera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3697 - 3699
• a: 15.076 ± 0.0003 Å
• b: 17.0426 ± 0.0003 Å
• c: 29.134 ± 0.0005 Å
• α: 93.123 ± 0.001°
• β: 90.335 ± 0.001°
• γ: 115.403 ± 0.001°
• Cell volume: 6748.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.207
• Weighted residual factors for all reflections included in the refinement: 0.2178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes