Information card for entry 1512435

Structure parameters

• Formula: C20 H16 Cl2 Mn2 N6 O4
• Calculated formula: C20 H16 Cl2 Mn2 N6 O4
• SMILES: [Mn]123(Cl)[O]([Mn]45(Cl)[O]1C(=O)Cn1[n]4c(cc1)c1[n]5cccc1)C(=O)Cn1[n]2c(cc1)c1[n]3cccc1
• Title of publication: Four novel coordination compounds containing Hpypza ligand [Hpypza = [3-(2-pyridyl)-1-pyrazolyl] acetic acid]
• Authors of publication: Jie Yang; Lei Shen; Gao-Wen Yang; Qiao-Yun Li; Liu-Liu Zhu; Wei Shen; Cheng Ji; Xiao-Feng Shen
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 392
• Pages of publication: 25 - 29
• a: 7.7731 ± 0.0016 Å
• b: 8.1161 ± 0.0016 Å
• c: 9.3376 ± 0.0019 Å
• α: 95.86 ± 0.03°
• β: 105.33 ± 0.03°
• γ: 97.7 ± 0.03°
• Cell volume: 557.1 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0851
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No