Information card for entry 2012131

Structure parameters

• Common name: {(PPh~3~)~2~PtB~10~H~11~-9-[OCH(CH~3~)~2~]}(CH~2~Cl~2~)
• Chemical name: 9-isopropoxy-7,7-bis(triphenylphosphorine-P)- 8,9:10,11-di-μ-H-7-platina-nido-undecaborane dichloromethane solvate
• Formula: C40 H50 B10 Cl2 O P2 Pt
• Calculated formula: C40 H50 B10 Cl2 O P2 Pt
• SMILES: [Pt]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)([P](c4ccccc4)(c4ccccc4)c4ccccc4)[BH]456[BH]789[BH]%1014[BH]147[BH]7%118[BH]859[BH]5%11([B]947(OC(C)C)[BH]2%101[H]9)[BH]368[H]5.ClCCl
• Title of publication: Three monoalkoxy-substituted <i>nido</i>-platinaboranes: [(PPh~3~)~2~PtB~10~H~11~-8-(OCH~3~)], [(PPh~3~)~2~PtB~10~H~11~-8-{OCH(CH~3~)~2~}] and [(PPh~3~)~2~PtB~10~H~10~-9-{OCH(CH~3~)~2~}]
• Authors of publication: Nie, Yong; Hu, Chun-Hua; Li, Xue; Yong, Wei; Dou, Jian Min; Sun, Jie; Jin, Ruo-Shui; Zheng, Pei-Ju
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: 897 - 899
• a: 13.435 ± 0.003 Å
• b: 17.864 ± 0.004 Å
• c: 19.383 ± 0.004 Å
• α: 90°
• β: 105.94 ± 0.02°
• γ: 90°
• Cell volume: 4473.1 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.057
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes