Information card for entry 7007703

Structure parameters

• Formula: C32 H54 Cu2 F6 N6 O10 S2
• Calculated formula: C32 H54 Cu2 F6 N6 O10 S2
• SMILES: S(=O)(=O)([O-])C(F)(F)F.c1c2C=[N]3[Cu]([N](CC3)(C(C)C)C(C)C)(Oc2cc2c1O[Cu]1([N](=C2)CC[N]1(C(C)C)C(C)C)[O]=CN(C)C)[O]=CN(C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Hydroquinone-bridged dinuclear Cu(II) complexes and single-crystalline Cu(II) coordination polymers.
• Authors of publication: Kretz, Tonia; Bats, Jan W.; Losi, Serena; Wolf, Bernd; Lerner, Hans-Wolfram; Lang, Michael; Zanello, Piero; Wagner, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 41
• Pages of publication: 4914 - 4921
• a: 7.778 ± 0.0007 Å
• b: 8.9085 ± 0.0008 Å
• c: 15.9926 ± 0.0014 Å
• α: 102.564 ± 0.005°
• β: 96.494 ± 0.005°
• γ: 96.263 ± 0.006°
• Cell volume: 1064.4 ± 0.17 ų
• Cell temperature: 224 ± 2 K
• Ambient diffraction temperature: 224 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1315
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No