Information card for entry 7018528

Structure parameters

• Formula: C59 H56 B4 Cu2 F16 N24 O5
• Calculated formula: C58.98 H51.92 B4 Cu2 F16 N24 O4.98
• Title of publication: Copper perchlorate and tetrafluoridoborate compounds with the ligand 1,4,5-triazanaphthalene. Gradual transformation of mononuclear Cu(ii) compounds via polynuclear mixed-valence Cu(ii)/Cu(i) species to dinuclear Cu(i); syntheses, characterizations and X-ray structures.
• Authors of publication: van Albada, Gerard A.; Mutikainen, Ilpo; Ghazzali, Mohamed; Al-Farhan, Khalid; Reedijk, Jan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 15
• Pages of publication: 4566 - 4574
• a: 9.22 ± 0.003 Å
• b: 10.761 ± 0.003 Å
• c: 17.745 ± 0.005 Å
• α: 94.01 ± 0.03°
• β: 92.85 ± 0.03°
• γ: 104.02 ± 0.03°
• Cell volume: 1699.9 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0733
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No