Information card for entry 7033177

Structure parameters

• Chemical name: Bis[1,1,1-tri(pyrid-2-yl)ethane]cobalt(III) triperchlorate hydrate
• Formula: C34 H32 Cl3 Co N6 O13
• Calculated formula: C34 H32 Cl3 Co N6 O13
• 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: 17.1489 ± 0.0004 Å
• b: 13.842 ± 0.0003 Å
• c: 15.2436 ± 0.0003 Å
• α: 90°
• β: 95.216 ± 0.002°
• γ: 90°
• Cell volume: 3603.47 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No