Information card for entry 4115419

Structure parameters

• Formula: C24 H30 Cl Cu3 N13 O14
• Calculated formula: C24 H18 Cl Cu3 N13.02 O12.04
• Title of publication: Cooperative Guest Inclusion by a Zeolite Analogue Coordination Polymer. Sorption Behavior with Gases and Amine and Group 1 Metal Salts
• Authors of publication: Leandro C. Tabares; Jorge A. R. Navarro; Juan M. Salas
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 383 - 387
• a: 15.76 ± 0.0003 Å
• b: 15.76 ± 0.0003 Å
• c: 15.76 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3914.43 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 224
• Hermann-Mauguin space group symbol: P n -3 m :2
• Hall space group symbol: -P 4bc 2bc 3
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1911
• Weighted residual factors for all reflections included in the refinement: 0.2233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No