Information card for entry 4117988

Structure parameters

• Formula: C61 H45 B Cu F24 N3
• Calculated formula: C61 H45 B Cu F24 N3
• Title of publication: Exceptionally Long-Lived Luminescence from [Cu(I)(isocyanide)2(phen)]+ Complexes in Nanoporous Crystals Enables Remarkable Oxygen Gas Sensing
• Authors of publication: Conor S. Smith; Kent R. Mann
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 8786 - 8789
• a: 24.361 ± 0.002 Å
• b: 20.0178 ± 0.0019 Å
• c: 25.469 ± 0.002 Å
• α: 90°
• β: 106.88 ± 0.002°
• γ: 90°
• Cell volume: 11884.9 ± 1.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No