Information card for entry 4332417

Structure parameters

• Formula: C34.5 H35 Cl3 Cu N6 O3 P
• Calculated formula: C34.5 H35 Cl3 Cu N6 O3 P
• Title of publication: NewN,N,N-Heteroscorpionates Based on 2,2‘-Bis(pyrazolyl)ethanamine and Its Derivatives. Ligands Designed for Probing Supramolecular Interactions
• Authors of publication: Reger, Daniel L.; Semeniuc, Radu F.; Gardinier, James R.; O'Neal, Jennifer; Reinecke, Bryn; Smith, Mark D.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4337 - 4339
• a: 8.3448 ± 0.0005 Å
• b: 11.0671 ± 0.0006 Å
• c: 19.4718 ± 0.0011 Å
• α: 83.351 ± 0.001°
• β: 86.171 ± 0.001°
• γ: 83.428 ± 0.001°
• Cell volume: 1771.83 ± 0.17 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0397
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No