Information card for entry 4348906

Structure parameters

• Formula: C24 H42 Cl N7 Ni2 O12
• Calculated formula: C24 H34 Cl N7 Ni2 O12
• SMILES: [Ni]123([N](=Cc4c5[O]2[Ni]26([N](=Cc7c(O6)c(OC)ccc7)CC[N]2(C)C)([O](c5ccc4)C)[N]3=N#N)CC[N]1(C)C)([OH2])[OH2].O.O.Cl(=O)(=O)(=O)[O-]
• Title of publication: A Ni(ii) dinuclear complex bridged by end-on azide-N and phenolate-O atoms: spectral interpretation, magnetism and biological study
• Authors of publication: Das, Kuheli; Datta, Amitabha; Nandi, Soumendranath; Mane, Sandeep B.; Mondal, Sudipa; Massera, Chiara; Sinha, Chittaranjan; Hung, Chen-Hsiung; Askun, Tulin; Celikboyun, Pinar; Cantürk, Zerrin; Garribba, Eugenio; Akitsu, Takashiro
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 8
• Pages of publication: 749
• a: 11.748 ± 0.002 Å
• b: 11.093 ± 0.001 Å
• c: 13.278 ± 0.002 Å
• α: 90 ± 0.005°
• β: 100.963 ± 0.002°
• γ: 90 ± 0.005°
• Cell volume: 1698.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No