Information card for entry 4326052

Structure parameters

• Formula: C24 H26 F6 N4 Ni2 O10
• Calculated formula: C24 H26 F6 N4 Ni2 O10
• SMILES: c12ccccc1C(=[N]1[Ni]3([O]2[Ni]24([N](=C(c5c(cccc5)[O]32)C)NC(C)=[O]4)(OC(=O)C(F)(F)F)[OH2])([O]=C(C)N1)(OC(=O)C(F)(F)F)[OH2])C
• Title of publication: Weak Interactions Modulating the Dimensionality in Supramolecular Architectures in Three New Nickel(II)-Hydrazone Complexes, Magnetostructural Correlation, and Catalytic Potential for Epoxidation of Alkenes under Phase Transfer Conditions
• Authors of publication: Dipali Sadhukhan; Aurkie Ray; Guillaume Pilet; Corrado Rizzoli; Georgina M. Rosair; Carlos J. Gómez-García; Sandra Signorella; Sebastián Bellú; Samiran Mitra
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8326 - 8339
• a: 7.21 ± 0.004 Å
• b: 10.186 ± 0.008 Å
• c: 10.376 ± 0.006 Å
• α: 77.13 ± 0.02°
• β: 73.77 ± 0.02°
• γ: 82.21 ± 0.03°
• Cell volume: 711.1 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0784
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1782
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No