Information card for entry 7004191

Structure parameters

• Formula: C72 H68 Cu2 N2 O18 P2
• Calculated formula: C72 H68 Cu2 N2 O18 P2
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c12c([O]3[Cu]456[N](Cc7c(ccc(c7)C(=O)O)[O]5[Cu]573[N](C2)(CC(=O)O5)CC(=O)O7)(CC(=O)O6)CC(=O)O4)ccc(c1)C(=O)O.O.O.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O.O
• Title of publication: Synthesis, structure, magnetic properties and aqueous solution characterization of p-hydroquinone and phenol iminodiacetate copper(ii) complexes
• Authors of publication: Stylianou, Marios; Drouza, Chryssoula; Viskadourakis, Zacharias; Giapintzakis, John; Keramidas, Anastasios D.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 6188 - 6204
• a: 11.9672 ± 0.0007 Å
• b: 12.2783 ± 0.0007 Å
• c: 12.6196 ± 0.0007 Å
• α: 86.504 ± 0.005°
• β: 66.668 ± 0.005°
• γ: 70.169 ± 0.005°
• Cell volume: 1595.89 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0352
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No