Information card for entry 7702029

Structure parameters

• Formula: C8 H5 Cu N O9 P3
• Calculated formula: C8 H5 Cu N O9 P3
• Title of publication: New layered copper 1,3,5-benzenetriphosphonates pillared with N-donor ligands: their synthesis, crystal structures, and adsorption properties.
• Authors of publication: Kondo, Atsushi; Satomi, Tokuya; Azuma, Kanami; Takeda, Rie; Maeda, Kazuyuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 28
• Pages of publication: 12717 - 12725
• a: 9.0825 ± 0.0001 Å
• b: 18.5934 ± 0.0003 Å
• c: 7.8629 ± 0.0001 Å
• α: 90°
• β: 109.352 ± 0.001°
• γ: 90°
• Cell volume: 1252.82 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0323
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No