Information card for entry 7036336

Structure parameters

• Formula: C32 H32 Cl8 Cu2 N16 O8 Re2
• Calculated formula: C32 H32 Cl8 Cu2 N16 O8 Re2
• SMILES: c1ccn2[n]1[Cu]1([n]3cccn3Cn3[n]1ccc3)[n]1n(C2)ccc1.O1C(=O)C(=O)O[Re]1(Cl)(Cl)(Cl)Cl
• Title of publication: Synthesis, crystal structure and magnetic properties of H2tppz[ReCl6] and [Cu(bpzm)2(μ-Cl)ReCl3(μ-ox)Cu(bpzm)2(μ-ox)ReCl3(μ-Cl)]n.
• Authors of publication: Gryca, I.; Palion-Gazda, J; Machura, B.; Penkala, M.; Kruszyński, R; Cano, J.; Lloret, F.; Julve, M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 39
• Pages of publication: 17118 - 17128
• a: 7.378 ± 0.0006 Å
• b: 8.9895 ± 0.0005 Å
• c: 18.1306 ± 0.0008 Å
• α: 86.077 ± 0.004°
• β: 85.878 ± 0.005°
• γ: 80.447 ± 0.006°
• Cell volume: 1180.81 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No