Information card for entry 7117859

Structure parameters

• Formula: C24 H16 Cr2 N4 Ni O7
• Calculated formula: C24 H16 Cr2 N4 Ni O7
• Title of publication: Novel mode of 2-fold interpenetration observed in a primitive cubic network of formula [Ni(1,2-bis(4-pyridyl)acetylene)2(Cr2O7)]n
• Authors of publication: Hayley S. Scott; Alankriti Bajpai; Kai-Jie Chen; Tony Pham; Brian Space; John J. Perry,IV; Michael J. Zaworotko
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 14832
• a: 8.5465 ± 0.0009 Å
• b: 15.9683 ± 0.0017 Å
• c: 20.726 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2828.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 23
• Hermann-Mauguin space group symbol: I 2 2 2
• Hall space group symbol: I 2 2
• Residual factor for all reflections: 0.1902
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.204
• Weighted residual factors for all reflections included in the refinement: 0.2406
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No