Information card for entry 4323568

Structure parameters

• Formula: C74 H73 Cl Cu2 N2 O8 P2
• Calculated formula: C74 H68 Cl Cu2 N2 O8 P2
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[O]=C(O[Cu]2[P](c3ccccc3)(c3ccccc3)c3ccccc3)C3(C)C[C@@]4(C(=O)N(C(=O)[C@@](C)(C4)C3)c3cc(N4C(=O)[C@]5(C)C[C@@](C4=O)(C)CC(C(O1)=[O]2)(C)C5)c(cc3C)C)C.c1(ccccc1)Cl
• Title of publication: Synthesis and Characterization of a Novel Class of Dicopper(I) Bis(carboxylate)-Bridged Complexes
• Authors of publication: Daniel D. LeCloux
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 4035 - 4046
• a: 41.7699 ± 0.0006 Å
• b: 20.0704 ± 0.0001 Å
• c: 16.2744 ± 0.0002 Å
• α: 90°
• β: 102.953 ± 0.001°
• γ: 90°
• Cell volume: 13296.3 ± 0.3 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 7
• 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: 0.0904
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections: 0.1725
• Weighted residual factors for significantly intense reflections: 0.1525
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No