Information card for entry 7105952

Structure parameters

• Formula: C27 H23.14 Cd Cl2 N7 O1.07
• Calculated formula: C27 H21 Cd Cl2 N7 O1.0685
• Title of publication: An unprecedented 2D > 3D metal–organic polyrotaxane framework constructed from cadmium and a flexible star-like ligand
• Authors of publication: Hua Wu; Hai-Yan Liu; Ying-Ying Liu; Jin Yang; Bo Liu; Jian-Fang Ma
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 1818
• a: 12.2544 ± 0.0003 Å
• b: 14.7363 ± 0.0003 Å
• c: 15.4417 ± 0.0004 Å
• α: 90°
• β: 107.644 ± 0.003°
• γ: 90°
• Cell volume: 2657.35 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0453
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No