Information card for entry 4304282

Structure parameters

• Formula: C16 H24 Cl2 Cu N2 O3
• Calculated formula: C16 H24 Cl2 Cu N2 O3
• SMILES: [Cu]12([n]3c(cccc3[C@@H](C)[OH]1)C)(Cl)[n]1c(cccc1[C@@H](C)[OH]2)C.[Cl-].O
• Title of publication: Helicates, Boxes, and Polymers from Simple Pyridine-Alcohol Ligands: the Impact of the Identity of the Transition Metal Ion
• Authors of publication: Shane G. Telfer; Nyree D. Parker; Reiko Kuroda; Takunori Harada; Julie Lefebvre; Daniel B. Leznoff
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 209 - 218
• a: 9.1495 ± 0.0008 Å
• b: 8.6211 ± 0.0007 Å
• c: 12.907 ± 0.0011 Å
• α: 90°
• β: 97.675 ± 0.001°
• γ: 90°
• Cell volume: 1008.97 ± 0.15 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No