Information card for entry 7005017

Structure parameters

• Formula: C21.5 H22 B1.5 Cu F6 N6.75 O2.13
• Calculated formula: C21.5 H22 B1.5 Cu F6 N6.75 O2.125
• Title of publication: A [2 x 2] nickel(ii) grid and a copper(ii) square result from differing binding modes of a pyrazine-based diamide ligand.
• Authors of publication: Klingele, Julia; Boas, John F.; Pilbrow, John R.; Moubaraki, Boujemaa; Murray, Keith S.; Berry, Kevin J.; Hunter, Keith A.; Jameson, Geoffrey B.; Boyd, Peter D. W.; Brooker, Sally
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 6
• Pages of publication: 633 - 645
• a: 13.9483 ± 0.0002 Å
• b: 14.1741 ± 0.0002 Å
• c: 26.0046 ± 0.0002 Å
• α: 82.338 ± 0.001°
• β: 86.135 ± 0.001°
• γ: 87.723 ± 0.001°
• Cell volume: 5081.28 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.084
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1976
• Weighted residual factors for all reflections included in the refinement: 0.2126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No