Information card for entry 7006820

Structure parameters

• Formula: C14 H16 Cl2 F2 N6 O2 Zn
• Calculated formula: C14 H16 Cl2 F2 N6 O2 Zn
• 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: 8.1532 ± 0.0016 Å
• b: 10.396 ± 0.002 Å
• c: 12.492 ± 0.003 Å
• α: 99.87 ± 0.03°
• β: 106.06 ± 0.03°
• γ: 107.33 ± 0.03°
• Cell volume: 933.4 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No