Information card for entry 1512732

Structure parameters

• Formula: C54 H81 Cu4 K6 N4 O39.5
• Calculated formula: C54 H81 Cu4 K6 N4 O39.5
• Title of publication: Synthesis, crystal structure, magnetic and electrochemical studies of two copper complexes with carboxylate rich dinucleating ligand
• Authors of publication: Rebecca A. Joy; Hadi Arman; Shengchang Xiang; Ghezai T. Musie
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 393
• Pages of publication: 220 - 228
• a: 9.4973 ± 0.0008 Å
• b: 11.6634 ± 0.0011 Å
• c: 18.21 ± 0.0017 Å
• α: 97.91 ± 0.006°
• β: 100.74 ± 0.007°
• γ: 109.9 ± 0.007°
• Cell volume: 1818.8 ± 0.3 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No