Information card for entry 7105831

Structure parameters

• Formula: C6 H19 Cl2 Cu3 N9 O7
• Calculated formula: C6 Cl1.998 Cu3 N9 O7.002
• Title of publication: Reversible Solid State Structural Conversion between Three-dimensional Network and One-dimensional Chain of Cu(II) Triazole Coordination Polymers in Acidic/Basic- Suspensions or Vapors
• Authors of publication: Tetsuya Yamada; Goro Maruta; Sadamu Takeda
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 653
• a: 24.743 ± 0.004 Å
• b: 24.743 ± 0.004 Å
• c: 24.743 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15148 ± 4 ų
• Cell temperature: 140 K
• Number of distinct elements: 6
• Space group number: 228
• Hermann-Mauguin space group symbol: F d -3 c :2
• Hall space group symbol: -F 4ud 2vw 3
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No