Information card for entry 8105412

Structure parameters

• Formula: C30 H24 N4 Ni O6
• Calculated formula: C30 H24 N4 Ni O6
• SMILES: [Ni]12345OC(=N[N]4=Cc4ccccc4[O]1CC[O]2c1ccccc1C=[N]5N=C(O3)c1c(O)cccc1)c1c(O)cccc1
• Title of publication: N′,N′′′-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(methaneylylidene))bis(2-hydroxybenzohydrazide)nickel(II), C30H24N4NiO6
• Authors of publication: Qiao, Hong-Tao; Zhao, San-Hu; Xi, Fu-Gui
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 5
• Pages of publication: 1171 - 1173
• a: 10.587 ± 0.0002 Å
• b: 10.6944 ± 0.0002 Å
• c: 13.683 ± 0.0003 Å
• α: 100.7 ± 0.001°
• β: 110.09 ± 0.001°
• γ: 104.735 ± 0.001°
• Cell volume: 1342.02 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 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: 0.0619
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No