Information card for entry 4309067

Structure parameters

• Formula: C31 H39 Cl2 Fe N3 O15
• Calculated formula: C31 H39 Cl2 Fe N3 O15
• 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: 8.2616 ± 0.0007 Å
• b: 14.0004 ± 0.001 Å
• c: 30.79 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3561.3 ± 0.5 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: 0.0723
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No