Information card for entry 1562845

Structure parameters

• Formula: C6 H9 Cl N2 Ni O4
• Calculated formula: C6 H6 Cl N2 Ni O4
• Title of publication: Single crystal to single crystal transition in (10, 3)-d framework with pyrazine-2-carboxylate ligand: Synthesis, structures and magnetism
• Authors of publication: Yang, Qian; Zhao, Jiong-Peng; Liu, Zhong-Yi
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2012
• Journal volume: 196
• Pages of publication: 52 - 57
• a: 10.545 ± 0.002 Å
• b: 11.2 ± 0.002 Å
• c: 7.8651 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 928.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No