Information card for entry 7705846

Structure parameters

• Formula: C41 H36 Cu I N2 P2
• Calculated formula: C41 H36 Cu I N2 P2
• SMILES: I[Cu]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1ccnc(c1)C
• Title of publication: Vapochromic luminescence of a spin-coated copper(I) complex thin film by the direct coordination of vapour molecules.
• Authors of publication: Kondo, Sae; Yoshimura, Nobutaka; Yoshida, Masaki; Kobayashi, Atsushi; Kato, Masako
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 16946 - 16953
• a: 9.7754 ± 0.0001 Å
• b: 37.378 ± 0.0003 Å
• c: 10.9994 ± 0.0001 Å
• α: 90°
• β: 115.013 ± 0.001°
• γ: 90°
• Cell volume: 3642.08 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No