Information card for entry 2209015

Structure parameters

• Chemical name: μ-Terephthalato-κ^2^O^1^:O^4^-bis[bis(propane-1,3-diamine- κ^2^N,N')ferrate(II)] bis(perchlorate)
• Formula: C20 H44 Cl2 Fe2 N8 O12
• Calculated formula: C20 H44 Cl2 Fe2 N8 O12
• SMILES: C1CC[NH2][Fe]2([NH2]1)([NH2]CCC[NH2]2)OC(=O)c1ccc(C(=O)O[Fe]23([NH2]CCC[NH2]2)[NH2]CCC[NH2]3)cc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: μ-Terephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^-bis[bis(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')iron(II)] bis(perchlorate)
• Authors of publication: Hu, Ren-Zhi; Wang, Jian-Hua; Cheng, Kui; Li, Zhi-Bin; Yan, Zheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1054 - m1055
• a: 10.165 ± 0.002 Å
• b: 10.143 ± 0.002 Å
• c: 16.012 ± 0.003 Å
• α: 90°
• β: 93.05 ± 0.03°
• γ: 90°
• Cell volume: 1648.6 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes