Information card for entry 7208805

Structure parameters

• Formula: C38 H38 Cu2 N2 O9 P4
• Calculated formula: C38 H36 Cu2 N2 O9 P4
• Title of publication: Solvent dependent synthesis of micro- and nano- crystalline phosphinate based 1D tubular MOF: structure and CO2 adsorption selectivity
• Authors of publication: Bataille, Thierry; Bracco, Silvia; Comotti, Angiolina; Costantino, Ferdinando; Guerri, Annalisa; Ienco, Andrea; Marmottini, Fabio
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 7170
• a: 29.61 ± 0.004 Å
• b: 29.61 ± 0.004 Å
• c: 9.77 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8566 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.2049
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.226
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No