Information card for entry 4112944

Structure parameters

• Formula: C27 H27 Br4 Cd2 N3 O4
• Calculated formula: C27 H27 Br4 Cd2 N3 O4
• SMILES: [Cd]1234([Br][Cd](Br)(Br)Br)[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
• 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: 9.0518 ± 0.0007 Å
• b: 12.5611 ± 0.0007 Å
• c: 29.0084 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3298.3 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 0.82
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No