Information card for entry 7238865

Structure parameters

• Formula: C21 H17 Br2 Cd N5
• Calculated formula: C21 H17 Br2 Cd N5
• Title of publication: Metal‒organic gels and coordination networks of pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) and metal halides: self sustainability, mechano, chemical responsiveness and gas and dye sorptions
• Authors of publication: Dey, Avishek; Mandal, Sumit K.; Biradha, Kumar
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9769
• a: 14.7153 ± 0.0013 Å
• b: 9.0139 ± 0.0008 Å
• c: 16.3787 ± 0.0014 Å
• α: 90°
• β: 107.313 ± 0.003°
• γ: 90°
• Cell volume: 2074.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0694
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 0.815
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No