Information card for entry 7040605

Structure parameters

• Formula: C30 H28 Co N5 O5
• Calculated formula: C30 H28 Co N5.00007 O4.99973
• Title of publication: The electronic and solvatochromic properties of [Co(L)(bipyridine)2](+) (L = o-catecholato, o-benzenedithiolato) species: a combined experimental and computational study.
• Authors of publication: Cioncoloni, Giacomo; Senn, Hans M.; Sproules, Stephen; Wilson, Claire; Symes, Mark D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 39
• Pages of publication: 15575 - 15585
• a: 21.2619 ± 0.0015 Å
• b: 21.2619 ± 0.0015 Å
• c: 14.3882 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5633 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.249
• Residual factor for significantly intense reflections: 0.1258
• Weighted residual factors for significantly intense reflections: 0.3299
• Weighted residual factors for all reflections included in the refinement: 0.4028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No