Information card for entry 7002837

Structure parameters

• Formula: C78 H72 Cu8 I8 P8
• Calculated formula: C78 H72 Cu8 I8 P8
• SMILES: C1[P](c2ccccc2)(c2ccccc2)[Cu]234[I]56[Cu]78[P]1(C[P]1(C[P](c9ccccc9)(c9ccccc9)[Cu]9%10%11[I]%12%13[Cu]9%14([I]%10[Cu]1%12[I]8[Cu]1%13[I]7[Cu]76[I]2[Cu]45([I]3)[P](C[P]7(C[P]1(C[P]%14(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[I]%11)c1ccccc1)c1ccccc1
• 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: 12.395 ± 0.004 Å
• b: 14.453 ± 0.005 Å
• c: 23.562 ± 0.008 Å
• α: 90°
• β: 93.1976 ± 0.001°
• γ: 90°
• Cell volume: 4214 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No