Information card for entry 2016512

Structure parameters

• Chemical name: Tris(1,10-phenanthroline-κ^2^N,N')cobalt(III) tris(trifluoromethanesulfonate) dihydrate
• Formula: C39 H28 Co F9 N6 O11 S3
• Calculated formula: C39 H28 Co F9 N6 O11 S3
• Title of publication: Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(III) tris(trifluoromethanesulfonate) dihydrate
• Authors of publication: Hanauer, Matthias; Neshat, Abdollah; Bigioni, Terry P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m111 - m113
• a: 12.4096 ± 0.0004 Å
• b: 13.0039 ± 0.0004 Å
• c: 13.4669 ± 0.0004 Å
• α: 92.764 ± 0.001°
• β: 107.367 ± 0.001°
• γ: 91.878 ± 0.001°
• Cell volume: 2069.18 ± 0.11 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes