Information card for entry 4301432

Structure parameters

• Formula: C27.5 H17.5 Cu4 N11.5 O2
• Calculated formula: C27.5 H17.5 Cu4 N11.5 O2
• Title of publication: In Situ Immobilization of Metalloligands: A Synthetic Route to Homometallic Mixed-Valence Coordination Polymers
• Authors of publication: Wen-Xiu Ni; Mian Li; Shun-Ze Zhan; Jin-Zhang Hou; Dan Li
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1433 - 1441
• a: 7.9468 ± 0.0006 Å
• b: 23.0945 ± 0.0016 Å
• c: 16.5554 ± 0.0011 Å
• α: 90°
• β: 100.889 ± 0.001°
• γ: 90°
• Cell volume: 2983.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No