Information card for entry 4112945

Structure parameters

• Formula: C27 H27 Cd2 Cl4 N3 O4
• Calculated formula: C27 H27 Cd2 Cl4 N3 O4
• SMILES: [Cd]1234[O](Cc5[n]2c(ccc5)C[O]1C[C@H]1[N]4=C(OC1)c1ccccc1)C[C@H]1[N]3=C(OC1)c1ccccc1.[Cl-][Cd](Cl)(Cl)[Cl-]
• Title of publication: Helical, Nonracemic Inorganic-Organic Hybrid Polymers of Cadmium Halides with Pentadentate Bis(oxazoline) Ligands
• Authors of publication: Michael Seitz; Anja Kaiser; Sabine Stempfhuber; Manfred Zabel; Oliver Reiser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 11426 - 11427
• a: 8.665 ± 0.0009 Å
• b: 12.219 ± 0.0008 Å
• c: 29.13 ± 0.003 Å
• α: 90°
• β: 95.297 ± 0.012°
• γ: 90°
• Cell volume: 3071 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 ± 1 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: 0.056
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No