Information card for entry 4332201

Structure parameters

• Formula: C26 H56 Cl4 Cu4 N4 Ni2 O10
• Calculated formula: C26 H56 Cl4 Cu4 N4 Ni2 O10
• SMILES: C1(=CC(=[O][Ni]234(O1)[O]15CC[N](C)(C)[Cu]61([OH]1[Cu]756([N](CC[O]27[Ni]251(OC(=CC(=[O]2)C)C)[O]12CC[N](C)(C)[Cu]61([OH]3[Cu]126([N](CC[O]451)(C)C)Cl)Cl)(C)C)Cl)Cl)C)C
• Title of publication: Synthesis of Isostructural Cage Complexes of Copper with Cobalt and Nickel for Deposition of Mixed Ceramic Oxide Materials
• Authors of publication: Hamid, Mazhar; Tahir, Asif A.; Mazhar, Muhammad; Zeller, Matthias; Molloy, Kieran C.; Hunter, Allen D.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10457 - 10466
• a: 10.583 ± 0.0002 Å
• b: 10.646 ± 0.0002 Å
• c: 19.612 ± 0.0004 Å
• α: 90°
• β: 98.063 ± 0.001°
• γ: 90°
• Cell volume: 2187.77 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0492
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No