Information card for entry 7007322

Structure parameters

• Formula: C42 H102 Co4 N4 Na2 O30
• Calculated formula: C42 H102 Co4 N4 Na2 O30
• SMILES: [O]12CC3(CO)C[O]45[Co]6781([N]3(CC[O]18)CCO7)[O]3([Na]51([OH]C)[OH]C)CC[N]1(CCO)C5(CO)CO[Co]24613OC5.CO.CO.CO
• Title of publication: Synthesis and structural characterisation of polynuclear cobalt complexes with partially-deprotonated Bis-tris.
• Authors of publication: Ferguson, Alan; Parkin, Andrew; Murrie, Mark
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 30
• Pages of publication: 3627 - 3628
• a: 13.1331 ± 0.0002 Å
• b: 12.2948 ± 0.0002 Å
• c: 18.929 ± 0.0003 Å
• α: 90°
• β: 94.059 ± 0.001°
• γ: 90°
• Cell volume: 3048.78 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0835
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections: 0.1241
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8519
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No