Information card for entry 7033175

Structure parameters

• Chemical name: Bis[1,1,1-tris(pyrid-2-yl)ethane]cobalt(II) diperchlorate tetrakis-acetonitrile solvate
• Formula: C42 H42 Cl2 Co N10 O8
• Calculated formula: C42 H42 Cl2 Co N10 O8
• SMILES: CC12c3cccc[n]3[Co]34([n]5c2cccc5)([n]2c(C(C)(c5cccc[n]35)c3[n]4cccc3)cccc2)[n]2c1cccc2.N#CC.N#CC.[O-]Cl(=O)(=O)=O.N#CC.N#CC.[O-]Cl(=O)(=O)=O
• Title of publication: Synthesis and coordination chemistry of 1,1,1-tris-(pyrid-2-yl)ethane.
• Authors of publication: Santoro, Amedeo; Sambiagio, Carlo; McGowan, Patrick C.; Halcrow, Malcolm A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 1060 - 1069
• a: 12.3122 ± 0.0005 Å
• b: 12.7314 ± 0.0004 Å
• c: 14.6894 ± 0.0006 Å
• α: 90°
• β: 112.295 ± 0.005°
• γ: 90°
• Cell volume: 2130.45 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0606
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.115
• 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: No
• Has Fobs: No