Information card for entry 7035350

Structure parameters

• Common name: 2,7-fluorenonediphosphonic acid copper(II) complex
• Formula: C69 H48 Cu2 N6 O23 P6
• Calculated formula: C69 H48 Cu2 N6 O23 P6
• SMILES: c1cccc2c3cccc4c5cccc[n]5[Cu]5([n]34)([n]12)OP(=O)(c1cc2c(cc1)c1ccc(cc1C2=O)P(=O)(O[Cu]12([n]3ccccc3c3cccc(c4cccc[n]24)[n]13)OP(=O)(c1ccc2c3ccc(cc3C(=O)c2c1)P(=O)(O5)O)O)O)O.C1(=O)c2cc(ccc2c2ccc(cc12)P(=O)(O)O)P(=O)(O)O.O.O
• Title of publication: Macrocyclic Cu(ii)-organophosphonate building block with room temperature magnetic ordering.
• Authors of publication: Bulut, A.; Zorlu, Y.; Topkaya, R.; Aktaş, B; Doğan, S; Kurt, H.; Yücesan, G
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 28
• Pages of publication: 12526 - 12529
• a: 13.7108 ± 0.0012 Å
• b: 14.8709 ± 0.0012 Å
• c: 19.711 ± 0.0018 Å
• α: 93.101 ± 0.006°
• β: 104.443 ± 0.005°
• γ: 102.318 ± 0.005°
• Cell volume: 3777.8 ± 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: 0.105
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No