Information card for entry 2005273

Structure parameters

• Chemical name: Tetrachlorotin Bis(diphenylphosphonato)ferrocene.
• Formula: C34 H28 Cl4 Fe O2 P2 Sn
• Calculated formula: C34 H28 Cl4 Fe O2 P2 Sn
• SMILES: [Sn]1(Cl)(Cl)(Cl)(Cl)[O]=P(c2ccccc2)(c2ccccc2)[c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2(P(=[O]1)(c1ccccc1)c1ccccc1)[cH]7[cH]8[cH]9[cH]%102
• Title of publication: [1,1'-Bis(diphenylphosphonato-<i>O</i>)ferrocene]tetrachlorotin
• Authors of publication: Yamin, B. M.; bin Shawkataly, O.; Fun, H.-K.; Sivakumar, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 1966 - 1968
• a: 12.221 ± 0.003 Å
• b: 20.75 ± 0.003 Å
• c: 13.902 ± 0.002 Å
• α: 90°
• β: 106.94 ± 0.02°
• γ: 90°
• Cell volume: 3372.4 ± 1.1 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: 0.0451
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.0865
• Goodness-of-fit parameter for all reflections: 0.98
• Goodness-of-fit parameter for significantly intense reflections: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No