Information card for entry 4082376

Structure parameters

• Formula: C24 H27 Cl Co N3 O7
• Calculated formula: C24 H27 Cl Co N3 O7
• SMILES: [Co]123([N](=Cc4c(O2)ccc(c4)C)CC[N]1=Cc1cc(ccc1OC3)C)([OH2])[n]1ccccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: A Novel Series of CoIII(salen-type) Complexes Containing a Seven-Membered Metallacycle: Synthesis, Structural Characterization and Factors Affecting the Metallacyclization Rate
• Authors of publication: Siega, Patrizia; Dreos, Renata; Brancatelli, Giovanna; Zangrando, Ennio; Tavagnacco, Claudio; Vrdoljak, Višnja; Hrenar, Tomica
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 4
• Pages of publication: 909
• a: 23.85 ± 0.0018 Å
• b: 16.201 ± 0.0011 Å
• c: 12.761 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4931 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No