Information card for entry 7716846

Structure parameters

• Formula: C42 H34 Mn N12 O4 Zn2
• Calculated formula: C42 H34 Mn N12 O4 Zn2
• 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: 24.306 ± 0.008 Å
• b: 8.269 ± 0.003 Å
• c: 21.095 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4240 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1177
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No