Information card for entry 4101626

Structure parameters

• Common name: tetramethylammonium copper(I) zinc cyanide
• Chemical name: tetramethylammonium copper(I) zinc cyanide
• Formula: C8 H12 Cu N5 Zn
• Calculated formula: C8 H11.9997 Cu N5 Zn
• Title of publication: Zero thermal expansion in a flexible, stable framework: tetramethylammonium copper(I) zinc(II) cyanide.
• Authors of publication: Phillips, Anthony E.; Halder, Gregory J.; Chapman, Karena W.; Goodwin, Andrew L.; Kepert, Cameron J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Journal issue: 1
• Pages of publication: 10 - 11
• a: 11.6012 ± 0.0003 Å
• b: 11.6012 ± 0.0003 Å
• c: 11.6012 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1561.38 ± 0.07 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No