Information card for entry 1563963

Structure parameters

• Formula: C24 H34 Mn N10 O S2
• Calculated formula: C24 H34 Mn N10 O S2
• SMILES: [Mn]12([n]3n(C)c(C)cc3c3[n]1[nH]c(c3)C)([n]1n(C)c(C)cc1c1[n]2[nH]c(c1)C)(N=C=S)N=C=S.O(CC)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: 14.967 ± 0.009 Å
• b: 14.591 ± 0.008 Å
• c: 15.165 ± 0.01 Å
• α: 90°
• β: 110.86 ± 0.03°
• γ: 90°
• Cell volume: 3095 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No