Information card for entry 7063705

Structure parameters

• Formula: C40 H50 B N5 O2
• Calculated formula: C40 H50 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: 10.9789 ± 0.0004 Å
• b: 11.8113 ± 0.0002 Å
• c: 17.3241 ± 0.0003 Å
• α: 81.404 ± 0.002°
• β: 74.068 ± 0.002°
• γ: 78.624 ± 0.002°
• Cell volume: 2106.92 ± 0.1 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 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: 0.0622
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No