Information card for entry 7063710

Structure parameters

• Formula: C54 H62 B N5 O2
• Calculated formula: C54 H62 B N5 O2
• Title of publication: Exploring tetra-coordinate bis-guanidinate-supported boron complexes: synthesis, characterization, and photophysical properties
• Authors of publication: Rajput, Sagrika; M. T., Nithya; Dhala, Sasmita; Venkatasubbaiah, Krishnan; Nembenna, Sharanappa
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 16
• Pages of publication: 6731 - 6740
• a: 14.8209 ± 0.0003 Å
• b: 16.0372 ± 0.0004 Å
• c: 20.9525 ± 0.0005 Å
• α: 104.236 ± 0.002°
• β: 109.15 ± 0.002°
• γ: 95.378 ± 0.0018°
• Cell volume: 4476.6 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1137
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.2314
• Weighted residual factors for all reflections included in the refinement: 0.2486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No