Information card for entry 7005407

Structure parameters

• Formula: C68 H72 Cu2 N24 Ni2 O16
• Calculated formula: C68 H72 Cu2 N24 Ni2 O16
• Title of publication: Pyrazolate-based copper(II) and nickel(II) [2 x 2] grid complexes: protonation-dependent self-assembly, structures and properties.
• Authors of publication: Klingele, Julia; Prikhod'ko, Alexander I.; Leibeling, Guido; Demeshko, Serhiy; Dechert, Sebastian; Meyer, Franc
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 20
• Pages of publication: 2003 - 2013
• a: 22.8396 ± 0.001 Å
• b: 22.8396 ± 0.001 Å
• c: 13.7885 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7192.7 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No