Information card for entry 7006819

Structure parameters

• Formula: C28 H32 Cl2 Cu F4 N12 O4
• Calculated formula: C28 H32 Cl2 Cu F4 N12 O4
• Title of publication: A series of metal-organic polymers assembled from MCl2 (M = Zn, Cd, Co, Cu): structures, third-order nonlinear optical and fluorescent properties.
• Authors of publication: Han, Huayun; Song, Yinglin; Hou, Hongwei; Fan, Yaoting; Zhu, Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 16
• Pages of publication: 1972 - 1980
• a: 22.782 ± 0.005 Å
• b: 9.3699 ± 0.0019 Å
• c: 19.862 ± 0.004 Å
• α: 90°
• β: 121.91 ± 0.03°
• γ: 90°
• Cell volume: 3599.1 ± 1.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No