Information card for entry 4320338

Structure parameters

• Formula: C44 H44 Cu2 N2 O8 P2
• Calculated formula: C44 H44 Cu2 N2 O8 P2
• SMILES: c1(P(c2ccccc2)(=[NH][Cu]2345[O]=C(O[Cu]5([O]=C(O2)C)([NH]=P(c2ccccc2)(c2ccccc2)c2ccccc2)(OC(=[O]3)C)[O]=C(O4)C)C)c2ccccc2)ccccc1
• Title of publication: Copper(II) Acetate Complexes, [CuLm(OAc)2]n (L = HNPPh3), Stable in the Solid State Either as a Dimer (m = 1, n = 2) or a Monomer (m = 2, n = 1)
• Authors of publication: Jeremy C. Stephens; Masood A. Khan; Robert P. Houser
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5064 - 5065
• a: 8.866 ± 0.009 Å
• b: 9.685 ± 0.01 Å
• c: 13.041 ± 0.013 Å
• α: 90.06 ± 0.09°
• β: 104.59 ± 0.11°
• γ: 104.45 ± 0.1°
• Cell volume: 1047 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0536
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No