Information card for entry 7039807

Structure parameters

• Formula: C72 H85 Cu5 N10 O57.5 P12
• Calculated formula: C72 H52 Cu5 N10 O57.5 P12
• Title of publication: Synthesis, solid-state characterization and solution studies of new phytate compounds with Cu(ii) and 1,10-phenanthroline: progress in the structural elucidation of phytate coordinating ability.
• Authors of publication: Quiñone, D; Veiga, N.; Torres, J.; Castiglioni, J.; Bazzicalupi, C.; Bianchi, A.; Kremer, C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 30
• Pages of publication: 12156 - 12166
• a: 12.964 ± 0.001 Å
• b: 15.316 ± 0.001 Å
• c: 15.8016 ± 0.0008 Å
• α: 65.84 ± 0.006°
• β: 87.478 ± 0.005°
• γ: 71.397 ± 0.005°
• Cell volume: 2699.5 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1913
• Residual factor for significantly intense reflections: 0.1215
• Weighted residual factors for significantly intense reflections: 0.2915
• Weighted residual factors for all reflections included in the refinement: 0.3673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No