Information card for entry 4117991

Structure parameters

• Formula: C124 H104 B2 Cu2 F48 N8
• Calculated formula: C124 H104 B2 Cu2 F48 N8
• 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: 14.4511 ± 0.0016 Å
• b: 14.9083 ± 0.0017 Å
• c: 15.8106 ± 0.0018 Å
• α: 103.855 ± 0.002°
• β: 91.899 ± 0.002°
• γ: 105.897 ± 0.002°
• Cell volume: 3162.8 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No