Information card for entry 4315385

Structure parameters

• Common name: jfc250b
• Formula: C78 H72 Cd2 Cl4 O10 Pt2 S2
• Calculated formula: C78 H72 Cd2 Cl4 O10 Pt2 S2
• Title of publication: Rhomboidal Heterometallic Alkynyl Based Pt2Cd2 Clusters: Structural, Photophysical, and Theoretical Studies
• Authors of publication: Jesús R. Berenguer; Julio Fernández; Belén Gil; Elena Lalinde; Sergio Sánchez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4232 - 4244
• a: 13.3388 ± 0.0004 Å
• b: 14.4103 ± 0.0008 Å
• c: 20.8566 ± 0.0012 Å
• α: 90°
• β: 108.259 ± 0.003°
• γ: 90°
• Cell volume: 3807.1 ± 0.3 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No