Information card for entry 2007497

Structure parameters

• Chemical name: [7,11- or 7,8-(μ-thiobenzoate-S:O)-7-(triphenylphosphine-P)-8,9:10,11-di- μH-7-platina-nido-undecaborane] 0.5-dichloromethane
• Formula: C25.5 H32 B10 Cl O P Pt S
• Calculated formula: C25.5 H27 B10 Cl O P Pt S
• SMILES: [Pt]1234([S]=C(O[B]563[BH]372[BH]289[BH]%1013[BH]139[BH]9%118[BH]572[BH2]69[BH2]1%11[BH]4%103)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Exopolyhedral Cyclized Platinaundecaboranes: [(PPh~3~)(PhCOS)PtB~10~H~11~].0.5CH~2~Cl~2~
• Authors of publication: Chun-Hua Hu; Jian-Min Dou; Jie Sun; Hai-Jun Yao; Jing-De Wei; Ruo-Shui Jin; Pei-Ju Zheng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1089 - 1091
• a: 11.642 ± 0.002 Å
• b: 33.225 ± 0.003 Å
• c: 16.312 ± 0.004 Å
• α: 90°
• β: 93.21 ± 0.02°
• γ: 90°
• Cell volume: 6300 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.121
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No