Information card for entry 7005192

Structure parameters

• Formula: C44 H52 Cu4 N28 O20
• Calculated formula: C44 H52 Cu4 N28 O20
• Title of publication: An orthogonal ferromagnetically coupled tetracopper(II) 2 x 2 homoleptic grid supported by micro-O4 bridges and its DFT study.
• Authors of publication: Roy, Somnath; Mandal, Tarak Nath; Barik, Anil Kumar; Pal, Sachindranath; Butcher, Ray J.; El Fallah, Mohamed Salah; Tercero, Javier; Kar, Susanta Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 12
• Pages of publication: 1229 - 1234
• a: 23.632 ± 0.002 Å
• b: 14.6528 ± 0.0015 Å
• c: 18.8956 ± 0.0019 Å
• α: 90°
• β: 114.155 ± 0.001°
• γ: 90°
• Cell volume: 5970.2 ± 1 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No