Information card for entry 7232353

Structure parameters

• Formula: C50 H44 Cl2 Cu2 F6 N8 O4
• Calculated formula: C50 H44 Cl2 Cu2 F6 N8 O4
• Title of publication: Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions
• Authors of publication: Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 12
• Pages of publication: 1940
• a: 8.0795 ± 0.0005 Å
• b: 11.2522 ± 0.0006 Å
• c: 15.1999 ± 0.0009 Å
• α: 78.399 ± 0.002°
• β: 81.52 ± 0.003°
• γ: 69.72 ± 0.003°
• Cell volume: 1265.16 ± 0.13 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No