Information card for entry 7110296

Structure parameters

• Common name: (2-aza-21-carba-5,10,15,20- tetraphenylporphyrinato)Cobalt(iii) PPH3
• Chemical name: (2-aza-21-carba-5,10,15,20-tetraphenylporphyrinato)Cobalt(III) PPH3
• Formula: C69 H51 Co2 N7 O9 P
• Calculated formula: C69 H51 Co2 N7 O9 P
• 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: 14.5294 ± 0.0019 Å
• b: 15.1545 ± 0.0019 Å
• c: 15.4 ± 0.002 Å
• α: 70.304 ± 0.002°
• β: 63.161 ± 0.002°
• γ: 73.503 ± 0.002°
• Cell volume: 2813.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1883
• Weighted residual factors for all reflections included in the refinement: 0.1963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No