Information card for entry 4126745

Structure parameters

• Formula: C114.29 H111.62 N4.5 Ni O0.5
• Calculated formula: C457.164 H446.493 N18 Ni4 O2
• Title of publication: Crystalline Coordination Networks of Zero-Valent Metal Centers: Formation of a 3-Dimensional Ni(0) Framework with m-Terphenyl Diisocyanides.
• Authors of publication: Agnew, Douglas W.; DiMucci, Ida M.; Arroyave, Alejandra; Gembicky, Milan; Moore, Curtis E.; MacMillan, Samantha N.; Rheingold, Arnold L.; Lancaster, Kyle M.; Figueroa, Joshua S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 29.5994 ± 0.0012 Å
• b: 34.117 ± 0.0011 Å
• c: 25.9158 ± 0.0009 Å
• α: 90°
• β: 124.556 ± 0.002°
• γ: 90°
• Cell volume: 21553.6 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1928
• Residual factor for significantly intense reflections: 0.0982
• Weighted residual factors for significantly intense reflections: 0.2507
• Weighted residual factors for all reflections included in the refinement: 0.3121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No