Information card for entry 7110297

Structure parameters

• Common name: (5,10,15,20-tetraphenyl-2-aza-21-carba- porphyrinato)(bispyridine)cobalt(iii)
• Chemical name: (5,10,15,20-tetraphenyl-2-aza-21-carba-porphyrinato)(bispyridine)cobalt(III)
• Formula: C54 H38 Co N6
• Calculated formula: C54 H38 Co N6
• Title of publication: Dianionic and trianionic macrocycles in cobalt N-confused porphyrin complexesElectronic supplementary information (ESI) available: Absorption spectra for 1, 2 and 4. See http://www.rsc.org/suppdata/cc/b4/b404261a/
• Authors of publication: Harvey, John D.; Ziegler, Christopher J.
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 14
• Pages of publication: 1666 - 1667
• a: 10.664 ± 0.003 Å
• b: 14.584 ± 0.004 Å
• c: 16.371 ± 0.005 Å
• α: 112.333 ± 0.004°
• β: 96.324 ± 0.005°
• γ: 91.474 ± 0.005°
• Cell volume: 2334.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.221
• Weighted residual factors for all reflections included in the refinement: 0.2295
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No