Information card for entry 7027385

Structure parameters

• Formula: C28.5 H25 Cl N6 Ni O4
• Calculated formula: C29 H24 Cl2 N6 Ni O4
• Title of publication: Electrochemical synthesis and structural characterisation of transition metal complexes with 2,6-bis(1-salicyloylhydrazonoethyl)pyridine, H4daps
• Authors of publication: Bermejo, Manuel R.; Fondo, Matilde; González, Ana M.; Hoyos, Olga L.; Sousa, Antonio; McAuliffe, Charles A.; Hussain, Wasif; Pritchard, Robin; Novotorsev, Vladimir M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 13
• Pages of publication: 2211
• a: 20.993 ± 0.004 Å
• b: 20.649 ± 0.004 Å
• c: 16.821 ± 0.003 Å
• α: 90°
• β: 122.32 ± 0.02°
• γ: 90°
• Cell volume: 6162 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1237
• Residual factor for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections: 0.3253
• Weighted residual factors for significantly intense reflections: 0.3245
• Goodness-of-fit parameter for all reflections: 0.826
• Goodness-of-fit parameter for significantly intense reflections: 0.827
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No