Information card for entry 7036335

Structure parameters

• Formula: C24 H18 Cl6 N6 Re
• Calculated formula: C24 H18 Cl6 N6 Re
• SMILES: c1(c(c2ccccn2)nc(c(n1)c1ccccn1)c1cccc[nH+]1)c1cccc[nH+]1.Cl[Re](Cl)(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: 9.9017 ± 0.0005 Å
• b: 14.8558 ± 0.0005 Å
• c: 9.7532 ± 0.0004 Å
• α: 90°
• β: 111.682 ± 0.006°
• γ: 90°
• Cell volume: 1333.17 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0363
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.0446
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No