Information card for entry 2235861

Structure parameters

• Chemical name: Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) bis(dimethyl phosphate)
• Formula: C10 H36 N6 Ni O8 P2
• Calculated formula: C10 H36 N6 Ni O8 P2
• SMILES: C1C[NH2][Ni]23([NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.COP(=O)([O-])OC.COP(=O)([O-])OC
• Title of publication: Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) bis(dimethyl phosphate)
• Authors of publication: Rafizadeh, Masoud; Saadati Moshtaghin, Hamid Reza; Amani, Vahid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1032
• a: 9.2553 ± 0.0005 Å
• b: 12.4913 ± 0.0005 Å
• c: 18.19 ± 0.001 Å
• α: 90°
• β: 90.156 ± 0.004°
• γ: 90°
• Cell volume: 2102.95 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0411
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes