Information card for entry 7234830

Structure parameters

• Formula: C27 H19 B F2 I2 N2 O0
• Calculated formula: C27 H19 B F2 I2 N2
• Title of publication: Modulation of sensitivity to mechanical stimulus in mechanofluorochromic properties by altering substituent positions in solid-state emissive diiodo boron diiminates
• Authors of publication: Madoka Yamaguchi; Shunichiro Ito; Amane Hirose; Kazuo Tanaka; Yoshiki Chujo
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 5314 - 5319
• a: 7.4834 ± 0.0008 Å
• b: 20.9617 ± 0.0019 Å
• c: 15.6517 ± 0.0015 Å
• α: 90°
• β: 94.901 ± 0.007°
• γ: 90°
• Cell volume: 2446.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0597
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No