Information card for entry 1559018

Structure parameters

• Chemical name: <i>trans</i>-Diaquabis(<i>N</i>,<i>N</i>,<i>N</i>'-trimethylethylenediamine)nickel(II) dichloride
• Formula: C10 H32 Cl2 N4 Ni O2
• Calculated formula: C10 H32 Cl2 N4 Ni O2
• SMILES: C1C[NH](C)[Ni]2([N]1(C)C)([OH2])([N](CC[NH]2C)(C)C)[OH2].[Cl-].[Cl-]
• Title of publication: <i>trans</i>-Diaquabis(<i>N</i>,<i>N</i>,<i>N</i>'-trimethylethylenediamine)nickel(II) dichloride
• Authors of publication: Miecznikowski, John R.; Jasinski, Jerry P.; Flaherty, Nicole F.; Mircovich, Emma E.; Smolinsky, Allison N.; Bertolotti, Natalia R.
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 9
• Pages of publication: x201182
• a: 24.7168 ± 0.0008 Å
• b: 16.6156 ± 0.0005 Å
• c: 8.3805 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3441.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes