Information card for entry 7002838

Structure parameters

• Formula: C80 H72 Cl6 Cu8 F6 O6 P8 S2
• Calculated formula: C80 H72 Cl6 Cu8 F6 O6 P8 S2
• SMILES: c1cc([P]2([Cu]3[Cl]4[Cu]56[P](C[P]7(C[P](c8ccccc8)(c8ccccc8)[Cu](OS(=O)(=O)C(F)(F)F)[Cl]8[Cu]9[P](C[P]%10(C[P]%11(C[P](c%12ccccc%12)(c%12ccccc%12)[Cu](OS(=O)(=O)C(F)(F)F)[Cl]3[Cu]4%11[Cl]5[Cu]5%10[Cl]9[Cu]78[Cl]65)c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)c3ccccc3)(C2)c2ccccc2)c2ccccc2)ccc1
• Title of publication: Interconversion between ladder-type octanuclear and linear tetranuclear copper(i) complexes supported by tetraphosphine ligands
• Authors of publication: Takemura, Yukie; Nakajima, Takayuki; Tanase, Tomoaki
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 46
• Pages of publication: 10231 - 10243
• a: 12.222 ± 0.004 Å
• b: 14.096 ± 0.005 Å
• c: 24.83 ± 0.009 Å
• α: 90°
• β: 95.3499 ± 0.0011°
• γ: 90°
• Cell volume: 4259 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.1814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.383
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No