Information card for entry 7004433

Structure parameters

• Formula: C72 H175 F30 N6 P12 Re12 Sb5 Se16
• Calculated formula: C72 H175 F30 N6 P12 Re12 Sb5 Se16
• Title of publication: Complexes of the [Re6(μ3-Se)8]2+ core-containing clusters with the water-soluble 1,3,5-triaza-7-phosphaadamantane (PTA) ligand: unexpected ligand protonation and related studies
• Authors of publication: Tu, Xiaoyan; Nichol, Gary S.; Wang, Ruiyao; Zheng, Zhiping
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 43
• Pages of publication: 6030 - 6038
• a: 25.183 ± 0.005 Å
• b: 23.994 ± 0.005 Å
• c: 24.244 ± 0.005 Å
• α: 90°
• β: 102.71 ± 0.03°
• γ: 90°
• Cell volume: 14290 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1293
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No