Information card for entry 2237693

Structure parameters

• Chemical name: [1,2-Bis(diisopropylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>'](carbonato-κ^2^<i>O</i>,<i>O</i>')nickel(II)
• Formula: C15 H32 Ni O3 P2
• Calculated formula: C15 H32 Ni O3 P2
• SMILES: C1C[P](C(C)C)(C(C)C)[Ni]2(OC(=O)O2)[P]1(C(C)C)C(C)C
• Title of publication: [1,2-Bis(diisopropylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>'](carbonato-κ^2^<i>O</i>,<i>O</i>')nickel(II)
• Authors of publication: Morales-Becerril, Illan; Flores-Alamo, Marcos; Garcia, Juventino J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: m200 - m201
• a: 8.4974 ± 0.0004 Å
• b: 46.582 ± 0.002 Å
• c: 14.7342 ± 0.0007 Å
• α: 90°
• β: 103.618 ± 0.004°
• γ: 90°
• Cell volume: 5668.2 ± 0.5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• 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: 0.0921
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes