Information card for entry 2022832

Structure parameters

• Chemical name: Bis[4-(2-aminoethyl)morpholine-κ^2^<i>N</i>,<i>N</i>']diaquanickel(II) dichloride
• Formula: C12 H32 Cl2 N4 Ni O4
• Calculated formula: C12 H32 Cl2 N4 Ni O4
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of bis-[4-(2-amino-eth-yl)morpholine-κ² <i>N</i>,<i>N</i>']di-aqua-nickel(II) dichloride.
• Authors of publication: Chidambaranathan, Balasubramanian; Sivaraj, Settu; Vijayamathubalan, Pandy; Selvakumar, Shanmugam
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 3
• Pages of publication: 226 - 230
• a: 8.6495 ± 0.0004 Å
• b: 8.6593 ± 0.0004 Å
• c: 13.1882 ± 0.0006 Å
• α: 90°
• β: 107.415 ± 0.001°
• γ: 90°
• Cell volume: 942.5 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes