Information card for entry 4350272

Structure parameters

• Formula: C4 H4 Cl N2 Zn0.5
• Calculated formula: C8 H8 Cl2 N4 Zn
• Title of publication: On the preparation of coordination polymers by controlled thermal decomposition: synthesis, crystal structures, and thermal properties of zinc halide pyrazine coordination compounds.
• Authors of publication: Bhosekar, Gaurav; Jess, Inke; Näther, Christian
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6508 - 6515
• a: 10.163 ± 0.0011 Å
• b: 10.6042 ± 0.0015 Å
• c: 10.1858 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1097.7 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No