Information card for entry 7014518

Structure parameters

• Formula: C40 H52 N4 Ni4 O12
• Calculated formula: C40 H52 N4 Ni4 O12
• SMILES: c12ccccc1C(=[N]1CC3[O]4[Ni]561([O]2[Ni]127[O]6(C)[Ni]689([N](=C(c%10c([O]9[Ni]94(Oc4c(C(C)=[N]9C3)cccc4)[O]58C)cccc%10)C)CC([O]26)C[N]7=C(c2ccccc2O1)C)[OH2])[OH2])C.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: 10.347 ± 0.005 Å
• b: 9.598 ± 0.004 Å
• c: 22.172 ± 0.011 Å
• α: 90°
• β: 90.676 ± 0.015°
• γ: 90°
• Cell volume: 2201.8 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0995
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No