Information card for entry 7110295

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: C64 H47 Cl4 Co2 N7 O9 P
• Calculated formula: C63 H45 Cl2 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: 12.103 ± 0.003 Å
• b: 16.031 ± 0.004 Å
• c: 16.39 ± 0.004 Å
• α: 91.296 ± 0.004°
• β: 102.294 ± 0.004°
• γ: 109.626 ± 0.004°
• Cell volume: 2911.3 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0727
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.1814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No