Information card for entry 7214622

Structure parameters

• Formula: C104 H64 Cu4 N8 O40
• Calculated formula: C104 H64 Cu4 N8 O40
• Title of publication: A homochiral network constructed by supramolecular packing of 2D chiral bilayer: synthesis, structure and property of metal(ii) complex based on achiral 3,3′,4,4′-oxydiphthalate and coligand
• Authors of publication: Gong, Yun; Li, Jian; Qin, Jianbo; Lin, Jianhua
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 5862
• a: 21.412 ± 0.013 Å
• b: 9.512 ± 0.005 Å
• c: 29.262 ± 0.013 Å
• α: 90°
• β: 126.59 ± 0.03°
• γ: 90°
• Cell volume: 4785 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.227
• Weighted residual factors for all reflections included in the refinement: 0.2385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No