Information card for entry 7700326

Structure parameters

• Formula: C14 H11 Br Cd N2 O7
• Calculated formula: C14 H11 Br Cd N2 O7
• Title of publication: Tuning of the para-position of pyridyl ligands impacts the electrical properties of a series of Cd(ii) ladder polymers.
• Authors of publication: Dutta, Basudeb; Dey, Arka; Sinha, Chittaranjan; Ray, Partha Pratim; Mir, Mohammad Hedayetullah
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 30
• Pages of publication: 11259 - 11267
• a: 7.8129 ± 0.0003 Å
• b: 9.7506 ± 0.0004 Å
• c: 11.6897 ± 0.0004 Å
• α: 83.522 ± 0.002°
• β: 80.158 ± 0.002°
• γ: 69.809 ± 0.002°
• Cell volume: 822.1 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 0.802
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No