Information card for entry 7205525

Structure parameters

• Formula: C12 H14 Cu3 N6 O9
• Calculated formula: C12 H14 Cu3 N6 O9
• Title of publication: A robust porous PtS-type Cu(ii) metal‒organic framework: single-crystal-to-single-crystal transformation with reversible guest intercalation accompanied by colour change
• Authors of publication: Ling, Yun; Zhang, Lei; Li, Jing; Du, Miao
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 768
• a: 14.0455 ± 0.0001 Å
• b: 14.0455 ± 0.0001 Å
• c: 14.6075 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2881.71 ± 0.05 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 138
• Hermann-Mauguin space group symbol: P 42/n c m :2
• Hall space group symbol: -P 4ac 2ac
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No