Information card for entry 7132980

Structure parameters

• Formula: C32 H72 Cu2 I4 P2
• Calculated formula: C32 H72 Cu2 I4 P2
• Title of publication: Mechanoresponsive luminescence triggered by phase transition of a supercooled copper(I) complex.
• Authors of publication: Delafoulhouze, Jérémy; Cordier, Marie; Mevellec, Jean-Yves; Massuyeau, Florian; Hernandez, Olivier; Latouche, Camille; Perruchas, Sandrine
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 40
• Pages of publication: 5278 - 5281
• a: 12.4248 ± 0.0014 Å
• b: 12.9746 ± 0.0016 Å
• c: 16.828 ± 0.002 Å
• α: 86.253 ± 0.005°
• β: 75.221 ± 0.004°
• γ: 64.491 ± 0.004°
• Cell volume: 2364.3 ± 0.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No