Information card for entry 4309066

Structure parameters

• Formula: C29 H27 Cd2 I4 N3 O6
• Calculated formula: C29 H27 Cd2 I4 N3 O6
• SMILES: [I]([Cd]1234([O](Cc5[n]2c(ccc5)C[O]1C[C@H]1[N]3=C(OC1)c1ccccc1)C[C@H]1[N]4=C(OC1)c1ccccc1)[OH]C)[Cd](I)(I)I.OC
• Title of publication: Enantiomerically Pure Pentagonal-Bipyramidal Metal Complexes with Predetermined Helicity in the Solid and Solution States
• Authors of publication: Michael Seitz; Anja Kaiser; Sabine Stempfhuber; Manfred Zabel; Oliver Reiser
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4630 - 4636
• a: 12.1883 ± 0.0013 Å
• b: 13.596 ± 0.001 Å
• c: 12.9392 ± 0.0013 Å
• α: 90°
• β: 115.881 ± 0.011°
• γ: 90°
• Cell volume: 1929.1 ± 0.4 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: 0.0307
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No