Information card for entry 2020772

Structure parameters

• Chemical name: Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) diacetate
• Formula: C10 H30 N6 Ni O4
• Calculated formula: C10 H30 N6 Ni O4
• SMILES: [Ni]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.O=C([O-])C.O=C([O-])C
• Title of publication: The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)
• Authors of publication: Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 6
• Pages of publication: 442 - 446
• a: 8.2974 ± 0.0011 Å
• b: 9.0619 ± 0.0011 Å
• c: 12.5998 ± 0.0017 Å
• α: 71.96 ± 0.004°
• β: 85.204 ± 0.005°
• γ: 74.321 ± 0.004°
• Cell volume: 867.3 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0214
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes