Information card for entry 7005257

Structure parameters

• Common name: Copper-alkoxide-phosphinate
• Formula: C74 H80 Cu2 N8 O10 P4
• Calculated formula: C74 H80 Cu2 N8 O10 P4
• SMILES: Cc1cc(n2CC3Cn4[n](c(cc4C)C)[Cu]45([O]3[Cu]3([n]12)([O]=P(O)(c1ccccc1)c1ccccc1)[n]1n(CC(Cn2c(cc(C)[n]52)C)[O]43)c(C)cc1C)[O]=P(O)(c1ccccc1)c1ccccc1)C.O=P([O-])(c1ccccc1)c1ccccc1.[O-]P(=O)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, magnetic behaviour, and X-ray structures of dinuclear copper complexes with multiple bridges. Efficient and selective catalysts for polymerization of 2,6-dimethylphenol
• Authors of publication: Ramaswamy Murugavel; Ramasamy Pothiraja; Nayanmoni Gogoi; Rodolphe Clérac; Lollita Lecren; Ray J. Butcher; Munirathinam Nethaji
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 23
• Pages of publication: 2405
• a: 13.206 ± 0.002 Å
• b: 13.439 ± 0.002 Å
• c: 13.497 ± 0.002 Å
• α: 71.321 ± 0.003°
• β: 61.987 ± 0.002°
• γ: 69.552 ± 0.003°
• Cell volume: 1945.9 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0605
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No