Information card for entry 4343014

Structure parameters

• Formula: C34 H54 N8 Ni4 O16
• Calculated formula: C34 H46 N8 Ni4 O16
• Title of publication: A new family of ni4 and ni6 aggregates from the self-assembly of [ni2] building units: role of carboxylate and carbonate bridges.
• Authors of publication: Pait, Moumita; Bauzá, Antonio; Frontera, Antonio; Colacio, Enrique; Ray, Debashis
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 4709 - 4723
• a: 9.522 ± 0.002 Å
• b: 14.168 ± 0.003 Å
• c: 17.741 ± 0.004 Å
• α: 91.6 ± 0.007°
• β: 102.804 ± 0.007°
• γ: 94.272 ± 0.006°
• Cell volume: 2325 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1544
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1956
• Weighted residual factors for all reflections included in the refinement: 0.2465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No