Information card for entry 2239781

Structure parameters

• Chemical name: Poly[[diaquabis[1,5-bis(pyridin-4-yl)pentane-κ^2^<i>N</i>:<i>N</i>']cadmium] bis(perchlorate) 1,5-bis(pyridin-4-yl)pentane ethanol monosolvate]
• Formula: C47 H64 Cd Cl2 N6 O11
• Calculated formula: C47 H64 Cd Cl2 N6 O11
• Title of publication: Crystal structure of a layered coordination polymer based on a 4^4^ net containing Cd^2+^ ions and 1,5-bis(pyridin-4-yl)pentane linkers
• Authors of publication: Harrison, William T. A.; Plater, M. John; deSilva, Ben M. deSilva; Foreman, Mark R. St J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: 80 - 83
• a: 10.0618 ± 0.0003 Å
• b: 10.1653 ± 0.0003 Å
• c: 27.0304 ± 0.0011 Å
• α: 87.163 ± 0.001°
• β: 85.001 ± 0.001°
• γ: 66.509 ± 0.001°
• Cell volume: 2525.6 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1499
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.1981
• Weighted residual factors for all reflections included in the refinement: 0.2206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes