Information card for entry 7103590

Structure parameters

• Formula: C96 H116 Cu4 N8 O30 P8
• Calculated formula: C96 H88 Cu4 N8 O30 P8
• Title of publication: A snapshot of a coordination polymer self-assembly process: the crystallization of a metastable 3D network followed by the spontaneous transformation in water to a 2D pseudopolymorphic phase.
• Authors of publication: Bataille, Thierry; Costantino, Ferdinando; Ienco, Andrea; Guerri, Annalisa; Marmottini, Fabio; Midollini, Stefano
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 47
• Pages of publication: 6381 - 6383
• a: 20.845 ± 0.001 Å
• b: 13.503 ± 0.005 Å
• c: 22.01 ± 0.001 Å
• α: 90°
• β: 116.196 ± 0.007°
• γ: 90°
• Cell volume: 5559 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1306
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.1781
• Weighted residual factors for all reflections included in the refinement: 0.2068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No