Information card for entry 4003009

Structure parameters

• Common name: catena-(tetrakis(m2-2-Butylimidazolato)-di-zinc)
• Formula: C14 H22 N4 Zn
• Calculated formula: C14 H22 N4 Zn
• Title of publication: Metal–Organic Frameworks as Fuels for Advanced Applications: Evaluating and Modifying the Combustion Energy of Popular MOFs
• Authors of publication: Titi, Hatem M.; Arhangelskis, Mihails; Katsenis, Athanassios D.; Mottillo, Cristina; Ayoub, Ghada; Do, Jean-Louis; Fidelli, Athena M.; Rogers, Robin D.; Friščić, Tomislav
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 13
• Pages of publication: 4882
• a: 26.7649 ± 0.0018 Å
• b: 26.7649 ± 0.0018 Å
• c: 26.7649 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19173 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 230
• Hermann-Mauguin space group symbol: I a -3 d
• Hall space group symbol: -I 4bd 2c 3
• Residual factor R(I) for significantly intense reflections: 0.076
• Goodness-of-fit parameter for all reflections: 9.325
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No