Information card for entry 7708874

Structure parameters

• Formula: C44 H50 B2 F2 N4 O4
• Calculated formula: C44 H50 B2 F2 N4 O4
• Title of publication: Development of NIR emissive fully-fused bisboron complexes with π-conjugated systems including multiple azo groups.
• Authors of publication: Nakamura, Masashi; Gon, Masayuki; Natsuda, Shin-Ichiro; Tamai, Yasunari; Ohkita, Hideo; Tanaka, Kazuo; Chujo, Yoshiki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 51
• Journal issue: 1
• Pages of publication: 74 - 84
• a: 7.656 ± 0.006 Å
• b: 21.051 ± 0.015 Å
• c: 12.118 ± 0.009 Å
• α: 90°
• β: 96.077 ± 0.011°
• γ: 90°
• Cell volume: 1942 ± 3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.1594
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No