Information card for entry 2214250

Structure parameters

• Chemical name: Poly[ethylenediammonium [copper(II)-μ~4~-benzene-1,2,4,5-tetracarboxylato-κ^4^O:O':O'':O'''] 2.5-hydrate]
• Formula: C48 H68 Cu4 N8 O42
• Calculated formula: C12 H17 Cu N2 O10.5
• Title of publication: Poly[ethylenediammonium [cuprate(II)-μ~4~-benzene-1,2,4,5-tetracarboxylato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>'''] 2.5-hydrate]
• Authors of publication: Rafizadeh, Masoud; Amani, Vahid; Dehghan, Leila; Azadbakht, Fatemeh; Sahlolbei, Elham
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1841 - m1842
• a: 7.3937 ± 0.0005 Å
• b: 18.4414 ± 0.0011 Å
• c: 11.3607 ± 0.0007 Å
• α: 90°
• β: 94.783 ± 0.001°
• γ: 90°
• Cell volume: 1543.64 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0487
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes