Information card for entry 4323918

Structure parameters

• Formula: C68 H84 Co2 N4 Na2 O12
• Calculated formula: C68 H76 Co2 N4 Na2 O14
• SMILES: c12ccccc2[C@H]([C@@H]2c3c(cccc3)[O]3[Co]45N2c2ccccc2[N]5=Cc2c(cccc2)[O]4[Na]3([O]2CCCC2)([O]2CCCC2)[O]2CCCC2)[N]2[Co]34[N](=Cc5c([O]4[Na]([O]13)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)cccc5)c1c2cccc1.O1CCCC1
• Title of publication: Formation of Carbon-Carbon-Bonded Dimers in the Reduction of [CoIIsalophen] [salophen =N,N'-o-Phenylenebis(salicylideneaminato)]: Their Reactivity with Electrophiles To Form Co-C Bonds
• Authors of publication: Stefania De Angelis; Euro Solari; Emma Gallo; Carlo Floriani; Angiola Chiesi-Villa; Corrado Rizzoli
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 5995 - 6003
• a: 11.27 ± 0.002 Å
• b: 17.594 ± 0.003 Å
• c: 16.606 ± 0.003 Å
• α: 90°
• β: 90.45 ± 0.02°
• γ: 90°
• Cell volume: 3292.6 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections: 0.1291
• Weighted residual factors for significantly intense reflections: 0.1289
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.033
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No