Information card for entry 7007224

Structure parameters

• Formula: C16 H124 N20 O29.5 P4 Tb
• Calculated formula: C16 H54 N20 O29.5 P4 Tb
• Title of publication: Coordination ability of trans-cyclohexane-1,2-diamine-N,N,N',N'-tetrakis(methylenephosphonic acid) towards lanthanide(III) ions.
• Authors of publication: Gałezowska, Joanna; Janicki, Rafał; Mondry, Anna; Burgada, Ramon; Bailly, Thèodorine; Lecouvey, Marc; Kozłowski, Henryk
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 36
• Pages of publication: 4384 - 4394
• a: 13.026 ± 0.009 Å
• b: 13.241 ± 0.009 Å
• c: 17.53 ± 0.013 Å
• α: 71.05 ± 0.06°
• β: 79.57 ± 0.06°
• γ: 72 ± 0.07°
• Cell volume: 2709 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0908
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No