Information card for entry 7251904

Structure parameters

• Formula: C4 H16 Br3 N3
• Calculated formula: C4 H16 Br3 N3
• Title of publication: Diethylenetriamine-driven assembly of a dimeric cadmium bromide hybrid and an organic bromide salt: structural, vibrational, optical, in silico study and biological insights
• Authors of publication: Ben Mahmoud, Iteb; Alghamdi, Mashael A.; Lazreg Aref, Houda; Mhadhbi, Noureddine; Nasrallah, Hossam H.; Guesmi, Ahlem; Ben Hamadi, Naoufel; Walha, Sandra; Costantino, Ferdinando; Naïli, Houcine
• Journal of publication: RSC Advances
• Year of publication: 2026
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 20526 - 20543
• a: 6.2138 ± 0.0005 Å
• b: 19.5497 ± 0.0016 Å
• c: 8.9715 ± 0.0009 Å
• α: 90°
• β: 93.211 ± 0.008°
• γ: 90°
• Cell volume: 1088.13 ± 0.17 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 4
• 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: 0.0417
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No