Information card for entry 7110294

Structure parameters

• Common name: (5,10,15,20-tetraphenyl-2-aza-21-carba- porphyrinato)(water)cobalt(iii)
• Chemical name: (5,10,15,20-tetraphenyl-2-aza-21-carba-porphyrinato)(water)cobalt(III)
• Formula: C44 H30 Co N4 O
• Calculated formula: C44 H36 Co N4 O
• 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: 13.368 ± 0.004 Å
• b: 13.368 ± 0.004 Å
• c: 9.647 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1724 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.1554
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.2302
• Weighted residual factors for all reflections included in the refinement: 0.2659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No