Information card for entry 4115351

Structure parameters

• Formula: C98 H143 Cl3 Nd2 O50 P6
• Calculated formula: C98 H114 Cl2.5 Nd2 O46 P6
• Title of publication: Chiral Crown Ether Pillared Lamellar Lanthanide Phosphonates
• Authors of publication: Helen L. Ngo; Wenbin Lin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 14298 - 14299
• a: 32.758 ± 0.003 Å
• b: 10.7326 ± 0.0009 Å
• c: 20.0076 ± 0.0016 Å
• α: 90°
• β: 121.888 ± 0.001°
• γ: 90°
• Cell volume: 5972.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1581
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.2081
• Weighted residual factors for all reflections included in the refinement: 0.2525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No