Information card for entry 4320042

Structure parameters

• Formula: C50 H32 Cl5 Co10.5 N6 O2
• Calculated formula: C49.13 H31 Cl2.38 Co N6 O2
• Title of publication: Structural and Oxo-Transfer Reactivity Differences of Hexacoordinate and Pentacoordinate (Nitro)(tetraphenylporphinato)cobalt(III) Derivatives
• Authors of publication: John Goodwin; Rosa Bailey; William Pennington; Roger Rasberry; Tony Green; Shira Shasho; May Yongsavanh; Valerie Echevarria; Jessica Tiedeken; Christina Brown; George Fromm; Stephanie Lyerly; Natalie Watson; Amy Long; Nick De Nitto
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4217 - 4225
• a: 13.3698 ± 0.0009 Å
• b: 23.216 ± 0.003 Å
• c: 15.13 ± 0.0003 Å
• α: 90°
• β: 105.613 ± 0.003°
• γ: 90°
• Cell volume: 4523 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1246
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1931
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No