Information card for entry 7243960

Structure parameters

• Formula: C17 H16 Cl N3 O7 Zn
• Calculated formula: C17 H16 Cl N3 O7 Zn
• Title of publication: Coordination complexes of zinc and manganese based on pyridine-2,5-dicarboxylic acid N-oxide: DFT studies and antiproliferative activities consideration
• Authors of publication: Alizadeh, Hanie; Mirzaei, Masoud; Saljooghi, Amir Sh.; Jodaian, Vida; Bazargan, Maryam; Mague, Joel T.; Gomila, Rosa M.; Frontera, Antonio
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 59
• Pages of publication: 37403 - 37412
• a: 8.5124 ± 0.0009 Å
• b: 9.503 ± 0.001 Å
• c: 12.0869 ± 0.0013 Å
• α: 75.923 ± 0.002°
• β: 84.467 ± 0.002°
• γ: 80.995 ± 0.002°
• Cell volume: 934.96 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0287
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No