Information card for entry 2241111

Structure parameters

• Chemical name: Dodecakis(μ~2~-alaninato-1:2κ^2^<i>O</i>:<i>N</i>,<i>O</i>)cerium(III)hexanickel(II) aquatris(hydroxido-κ<i>O</i>)tris(nitrato-κ^2^<i>O</i>,<i>O</i>')cerate(III)
• Formula: C36 H77 Ce2 N15 Ni6 O37
• Calculated formula: C36 H76.9998 Ce2 N15 Ni6 O37
• Title of publication: Crystal structure of an unknown solvate of dodecakis(μ~2~-alaninato-1:2κ^2^<i>O</i>:<i>N</i>,<i>O</i>)cerium(III)hexanickel(II) aquatris(hydroxido-κ<i>O</i>)tris(nitrato-κ^2^<i>O</i>,<i>O</i>')cerate(III)
• Authors of publication: Bezzubov, Stanislav I.; Doljenko, Vladimir D.; Churakov, Andrei V.; Zharinova, Irina S.; Kiselev, Yuri M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: m183 - m184
• a: 14.6418 ± 0.0004 Å
• b: 14.6418 ± 0.0004 Å
• c: 31.7767 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5899.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes