Information card for entry 7221144

Structure parameters

• Formula: C34 H39 Cl2 Co N P2
• Calculated formula: C34 H39 Cl2 Co N P2
• SMILES: c1(ccccc1)[P]1(CCN(C2CCCCC2)CC[P](c2ccccc2)(c2ccccc2)[Co]1(Cl)Cl)c1ccccc1
• Title of publication: Cobalt “PNP” aminodiphosphine complexes as catalysts in the oxidation of n-octane.
• Authors of publication: Naicker, Dunesha; Friedrich, Holger B.; Omondi, Bernard
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.7475 ± 0.0016 Å
• b: 11.1289 ± 0.0018 Å
• c: 30.195 ± 0.005 Å
• α: 90°
• β: 104.044 ± 0.009°
• γ: 90°
• Cell volume: 3177.6 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1375
• Residual factor for significantly intense reflections: 0.1014
• Weighted residual factors for significantly intense reflections: 0.2331
• Weighted residual factors for all reflections included in the refinement: 0.2449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No