Information card for entry 4309852

Structure parameters

• Formula: C36 H38 Cl2 Cu2 N12 O8
• Calculated formula: C36 H38 Cl2 Cu2 N12 O8
• Title of publication: Ligand Conformation Enforces Trigonal Bipyramidal Coordination Geometry in a New Dinuclear Bis(pyrazolato)-Bridged Copper(II) Complex: Synthesis, Crystal Structure, and Properties of [Cu(Npy2pz)]2(ClO4)2.2CH3CN
• Authors of publication: Stefania Tanase; Iryna A. Koval; Elisabeth Bouwman; René de Gelder; Jan Reedijk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7860 - 7865
• a: 11.052 ± 0.0005 Å
• b: 11.4473 ± 0.0005 Å
• c: 16.7726 ± 0.0006 Å
• α: 98.987 ± 0.004°
• β: 93.439 ± 0.004°
• γ: 104.73 ± 0.003°
• Cell volume: 2015.99 ± 0.15 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.1129
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No