Information card for entry 1563962

Structure parameters

• Formula: C20 H25 Cl2 Mn N9
• Calculated formula: C20 H25 Cl2 Mn N9
• SMILES: [Mn]12(Cl)(Cl)(n3nc(C)cc3c3[n]2n(c(c3)C)C)[n]2n(c(cc2c2n1nc(C)c2)C)C.N#CC
• Title of publication: Cu(II) and Mn(II) coordination complexes constructed by C linked bispyrazoles: Effect of anions and hydrogen bonding on the self assembly process
• Authors of publication: El-Massaoudi, Mohamed; Radi, Smaail; Mabkhot, Yahia N.; Al-Showiman, Salim S.; Ghabbour, Hazem A.; Ferbinteanu, Marilena; Adarsh, N.N.; Garcia, Yann
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 482
• Pages of publication: 411 - 419
• a: 11.8621 ± 0.0007 Å
• b: 14.3826 ± 0.0009 Å
• c: 15.3271 ± 0.001 Å
• α: 87.488 ± 0.003°
• β: 86.829 ± 0.002°
• γ: 78.249 ± 0.002°
• Cell volume: 2554.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1465
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.2182
• Weighted residual factors for all reflections included in the refinement: 0.2763
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No