Information card for entry 4312308

Structure parameters

• Formula: C29 H36 Cl Co N6 O6
• Calculated formula: C29 H36 Cl Co N6 O6
• SMILES: [Co]123(COc4c(C(C)=[N]2CC[N]1=C(c1c(ccc(c1)C)O3)C)cc(cc4)C)([n]1ccn(c1)C)[n]1ccn(c1)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: New β Cis Folded Organocobalt Derivatives with a Salen-Type Ligand
• Authors of publication: Renata Dreos; Giorgio Nardin; Lucio Randaccio; Patrizia Siega; Giovanni Tauzher; Višnja Vrdoljak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6805 - 6811
• a: 7.472 ± 0.005 Å
• b: 12.981 ± 0.006 Å
• c: 16.716 ± 0.006 Å
• α: 72.9 ± 0.02°
• β: 80.73 ± 0.02°
• γ: 72.49 ± 0.02°
• Cell volume: 1473.2 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.1957
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No