Information card for entry 7014519

Structure parameters

• Formula: C40 H52 Co4 N6 O18
• Calculated formula: C40 H52 Co4 N6 O18
• SMILES: [Co]12345[O]6[Co]78([OH2])([OH2])[O]5([Co]59([O]1[C@H](C[N]3=C(c1c6cccc1)C)C[N]4=C(C)c1ccccc1O2)([O]7([Co]1234[N](=C(c6c([O]82)cccc6)C)C[C@@H]([O]54)C[N]1=C(C)c1ccccc1O3)C)ON(=[O]9)=O)C.N(=O)(=O)[O-].O.O.[Co]12345[O]6[Co]78([OH2])([OH2])[O]5([Co]59([O]1[C@@H](C[N]3=C(c1c6cccc1)C)C[N]4=C(C)c1ccccc1O2)([O]7([Co]1234[N](=C(c6c([O]82)cccc6)C)C[C@H]([O]54)C[N]1=C(C)c1ccccc1O3)C)ON(=[O]9)=O)C.N(=O)(=O)[O-].O.O
• Title of publication: Isolation of four new Co(II)/Co(III) and Ni(II) complexes with a pentadentate Schiff base ligand: syntheses, structural descriptions and magnetic studies.
• Authors of publication: Banerjee, Sambuddha; Nandy, Madhusudan; Sen, Soma; Mandal, Sandip; Rosair, Georgina M.; Slawin, Alexandra M. Z.; Gómez García, Carlos J; Clemente-Juan, Juan M; Zangrando, Ennio; Guidolin, Nicol; Mitra, Samiran
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 8
• Pages of publication: 1652 - 1661
• a: 11.983 ± 0.003 Å
• b: 13.084 ± 0.003 Å
• c: 16.634 ± 0.004 Å
• α: 86.68 ± 0.02°
• β: 88.72 ± 0.03°
• γ: 65.55 ± 0.02°
• Cell volume: 2370.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No