Information card for entry 7033517

Structure parameters

• Chemical name: unk
• Formula: C40 H49 Cl Co N4 O2
• Calculated formula: C40 H49 Cl Co N4 O2
• SMILES: [Co]123(Cl)Oc4c(N3c3c([N]1=Nc1c(N2c2cc(cc(c2O)C(C)(C)C)C(C)(C)C)cccc1)cccc3)cc(C(C)(C)C)cc4C(C)(C)C
• Title of publication: Inter-ligand azo (N[double bond, length as m-dash]N) unit formation and stabilization of a Co(ii)-diradical complex via metal-to-ligand dπ-pπ* back donation: synthesis, characterization, and theoretical study.
• Authors of publication: Rakshit, Richa; Ghorai, Samir; Sarmah, Amrit; Tiwari, Archana; Roy, Ram Kinkar; Mukherjee, Chandan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 3724 - 3727
• a: 9.3974 ± 0.0004 Å
• b: 11.8652 ± 0.0004 Å
• c: 17.5161 ± 0.001 Å
• α: 101.422 ± 0.004°
• β: 92.112 ± 0.004°
• γ: 89.97 ± 0.003°
• Cell volume: 1913.05 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0753
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No