Information card for entry 4327534

Structure parameters

• Formula: C88 H75 N4 O14 Zn2.5
• Calculated formula: C88 H64 N4 O13.5 Zn2.5
• Title of publication: A Novel Coordination Polymer Containing Both Interdigitated 1D Chains and Interpenetrated 2D Grids
• Authors of publication: Ponnaiyan Ayyappan; Owen R. Evans; Wenbin Lin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3328 - 3330
• a: 15.686 ± 0.002 Å
• b: 12.6103 ± 0.0016 Å
• c: 38.999 ± 0.005 Å
• α: 90°
• β: 98.397 ± 0.002°
• γ: 90°
• Cell volume: 7631.5 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.2552
• Residual factor for significantly intense reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.2525
• Weighted residual factors for all reflections included in the refinement: 0.3435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No