Information card for entry 4104052

Structure parameters

• Common name: Zinc Imidazolate
• Formula: C12 H12 N8 Zn2
• Calculated formula: C12 H12 N8 Zn2
• Title of publication: Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study
• Authors of publication: Elinor C. Spencer; Ross J. Angel; Nancy L. Ross; Brian E. Hanson; Judith A. K. Howard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 4022 - 4026
• a: 23.0474 ± 0.0006 Å
• b: 23.0474 ± 0.0006 Å
• c: 12.402 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6587.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Cell measurement pressure: 543000 ± 5000 kPa
• Ambient diffracton pressure: 547000 ± 5000 kPa
• Number of distinct elements: 4
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.2677
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No