Information card for entry 7036066

Structure parameters

• Formula: C38 H48 B2 Cl2 N2
• Calculated formula: C38 H48 B2 Cl2 N2
• Title of publication: Colorimetric and fluorimetric detection of fluoride and cyanide ions using tri and tetra coordinated boron containing chromophores.
• Authors of publication: Misra, Rajneesh; Jadhav, Thaksen; Dhokale, Bhausaheb; Mobin, Shaikh M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 36
• Pages of publication: 16052 - 16060
• a: 8.9225 ± 0.0003 Å
• b: 9.5404 ± 0.0003 Å
• c: 42.2003 ± 0.0011 Å
• α: 90°
• β: 90.1 ± 0.02°
• γ: 90°
• Cell volume: 3592.26 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0874
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1763
• Weighted residual factors for all reflections included in the refinement: 0.1946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No