Information card for entry 7033143

Structure parameters

• Formula: C34 H48 Cl4 Cu4 N2 O8 P2
• Calculated formula: C34 H48 Cl4 Cu4 N2 O8 P2
• SMILES: [Cu]1234[Cu]56([Cu]7([Cu]1(P15c5ccccc5N(C=1)CC(C)(C)C)([O]=C(O7)C)OC(=[O]4)C)(P12c2ccccc2N(C=1)CC(C)(C)C)[O]=C(O6)C)[O]=C(O3)C.C(Cl)Cl.C(Cl)Cl
• Title of publication: π-Excess aromatic σ²-P ligands: synthesis and structure of an unprecedented μ²-P-1,3-benzazaphosphole bridged tetranuclear copper(I) acetate complex.
• Authors of publication: Ghalib, Mohammed; Könczöl, László; Nyulászi, László; Palm, Gottfried J.; Schulzke, Carola; Heinicke, Joachim W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 1769 - 1774
• a: 10.255 ± 0.002 Å
• b: 11.959 ± 0.002 Å
• c: 19.404 ± 0.004 Å
• α: 76.3 ± 0.03°
• β: 85.99 ± 0.03°
• γ: 70.33 ± 0.03°
• Cell volume: 2177 ± 0.9 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 0.798
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No