Information card for entry 7716849

Structure parameters

• Formula: C18 H13 Br N4 O Zn
• Calculated formula: C18 H13 Br N4 O Zn
• Title of publication: Chemical CO2 fixation using a cyanido bridged heterometallic Zn(ii)–Mn(ii) 2D coordination polymer
• Authors of publication: Dadmehr, Parvaneh; Bikas, Rahman; Lis, Tadeusz
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 36
• Pages of publication: 15246 - 15257
• a: 8.7892 ± 0.0019 Å
• b: 13.133 ± 0.003 Å
• c: 16.077 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1855.7 ± 0.7 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2154
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No