Information card for entry 4305941

Structure parameters

• Formula: C14 H12 Cl2 N2 O11 Pb
• Calculated formula: C14 H14 Cl2 N2 O11 Pb
• Title of publication: Metal Ion Complexing Properties of the Highly Preorganized Ligand 2,9-bis(Hydroxymethyl)-1,10-phenanthroline: A Crystallographic and Thermodynamic Study
• Authors of publication: Raymond T. Gephart; Neil J. Williams; Joseph H. Reibenspies; Alvaro S. De Sousa; Robert D. Hancock
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10342 - 10348
• a: 8.8438 ± 0.0001 Å
• b: 9.0751 ± 0.0015 Å
• c: 12.178 ± 0.002 Å
• α: 74.427 ± 0.003°
• β: 78.403 ± 0.013°
• γ: 80.053 ± 0.011°
• Cell volume: 915 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0776
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1729
• Weighted residual factors for all reflections included in the refinement: 0.1944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No