Information card for entry 4305251

Structure parameters

• Common name: {[Cu(TIM)]2[Cu13Cl30(H2O)4]xH2O}n
• Formula: C14 H25.4 Cl15 Cu7.51 N4 O1.28
• Calculated formula: C14 H24 Cl15 Cu7.508 N4 O1.29
• Title of publication: Structures of [(n-C4H9)2NH2]2Cd9Cl20.2H2O and [Cu(C14H24N4)]2Cu13Cl30(H2O)2.xH2O: Perforated Layer Structures Based on the CdCl2 Layer Network
• Authors of publication: Adrienne A. Thorn; Roger D. Willett; Brendan Twamley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5775 - 5779
• a: 9.4539 ± 0.0013 Å
• b: 9.7873 ± 0.0013 Å
• c: 10.9255 ± 0.0015 Å
• α: 98.7616 ± 0.001°
• β: 107.115 ± 0.002°
• γ: 109.192 ± 0.002°
• Cell volume: 877 ± 0.2 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 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: 0.0247
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No