Information card for entry 7033996

Structure parameters

• Formula: C50 H46 Cu4 N8 O11
• Calculated formula: C50 H46 Cu4 N8 O11
• Title of publication: Two types of nitrito support for μ4-oxido-bridged [Cu4] complexes: synthesis, crystal structures, magnetic properties and DFT analysis.
• Authors of publication: Pait, Moumita; Shatruk, Michael; Lengyel, Jeff; Gómez-Coca, Silvia; Bauzá, Antonio; Frontera, Antonio; Bertolasi, Valerio; Ray, Debashis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 13
• Pages of publication: 6107 - 6117
• a: 14.9238 ± 0.0007 Å
• b: 14.9238 ± 0.0007 Å
• c: 23.7779 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5295.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No