Information card for entry 7018526

Structure parameters

• Formula: C59 H56 Cl4 Cu2 N24 O21
• Calculated formula: C59 H52 Cl4 Cu2 N24 O21
• 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: 9.395 ± 0.002 Å
• b: 11.231 ± 0.002 Å
• c: 17.471 ± 0.003 Å
• α: 89.88 ± 0.03°
• β: 89.22 ± 0.03°
• γ: 76.15 ± 0.03°
• Cell volume: 1789.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1417
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.2022
• Weighted residual factors for all reflections included in the refinement: 0.2321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No