Information card for entry 7006007

Structure parameters

• Common name: tpyimi
• Formula: C32 H46 Br Cu2 F6 N10 O10 S2
• Calculated formula: C32 H49 Br Cu2 F6 N10 O10 S2
• SMILES: [Cu]123(Br)[n]4cc5CNCCC[NH]6[Cu]7([NH](CCCNCc8ccc([n]2c8)c2[n]1c(c4cc5)ccc2)CC[NH]7CC6)([n]1cn3cc1)[OH2].S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)(C(F)(F)F)[O-].O.O.O
• Title of publication: Imidazolate bridged Cu(II)-Cu(II) and Cu(II)-Zn(II) complexes of a terpyridinophane azamacrocycle: a solution and solid state study.
• Authors of publication: Verdejo, Begoña; Blasco, Salvador; García-España, Enrique; Lloret, Francisco; Gaviña, Pablo; Soriano, Conxa; Tatay, Sergio; Jiménez, Hermas R; Doménech, Antonio; Latorre, Julio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 41
• Pages of publication: 4726 - 4737
• a: 8.833 ± 0.0003 Å
• b: 14.95 ± 0.0005 Å
• c: 18.285 ± 0.0008 Å
• α: 67.191 ± 0.0011°
• β: 81.06 ± 0.0013°
• γ: 78.565 ± 0.002°
• Cell volume: 2173.34 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1454
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.2143
• Weighted residual factors for all reflections included in the refinement: 0.2642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No