Information card for entry 7026099

Structure parameters

• Formula: C6 H8 Cl2 Cu N4
• Calculated formula: C6 H8 Cl2 Cu N4
• Title of publication: Coordination chemistry in the solid state: synthesis and interconversion of pyrazolium salts, pyrazole complexes, and pyrazolate MOFs.
• Authors of publication: Adams, Christopher J.; Kurawa, Mukhtar A.; Orpen, A. Guy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 30
• Pages of publication: 6974 - 6984
• a: 3.7606 ± 0.0008 Å
• b: 8.8887 ± 0.0018 Å
• c: 13.649 ± 0.003 Å
• α: 86.21 ± 0.03°
• β: 86.88 ± 0.04°
• γ: 78.56 ± 0.03°
• Cell volume: 445.8 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No