Information card for entry 7031145

Structure parameters

• Formula: C124 H176 O4 P8 Pt4 S4
• Calculated formula: C122 H172 O4 P8 Pt4 S4
• Title of publication: Design and synthesis of multifunctional thiacalixarenes and related metal derivatives for the preparation of sol‒gel hybrid materials with non-linear optical properties
• Authors of publication: Desroches, Cedric; Lopes, Cesar; Kessler, Vadim; Parola, Stephane
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 10
• Pages of publication: 2085 - 2092
• a: 21.6628 ± 0.0017 Å
• b: 21.6628 ± 0.0017 Å
• c: 28.045 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13161 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1083
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No