Information card for entry 4312109

Structure parameters

• Formula: C32 H88 Cl4 N32 Ni4 O8 Pt2 S8
• Calculated formula: C32 H82 Cl4 N32 Ni4 O8.02 Pt2 S8
• Title of publication: Anion-Templated Synthesis of Metallacages as a Means for the Colorimetric Detection of Chlorides
• Authors of publication: Pilar Diaz; D. Michael P. Mingos; Ramón Vilar; Andrew J. P. White; David J. Williams
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7597 - 7604
• a: 21.308 ± 0.005 Å
• b: 17.396 ± 0.003 Å
• c: 23.274 ± 0.011 Å
• α: 90°
• β: 97.47 ± 0.02°
• γ: 90°
• Cell volume: 8554 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections: 0.4504
• Weighted residual factors for significantly intense reflections: 0.1466
• Goodness-of-fit parameter for all reflections: 1.061
• Goodness-of-fit parameter for significantly intense reflections: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No