Information card for entry 7021421

Structure parameters

• Formula: C72 H60 Ge4 O8 Sn6
• Calculated formula: C72 H60 Ge4 O8 Sn6
• SMILES: c1(ccccc1)[Ge]([O]12[Sn]34[O]5[Sn]61[O]1([Ge](c7ccccc7)(c7ccccc7)c7ccccc7)[Sn]75[O]4([Ge](c4ccccc4)(c4ccccc4)c4ccccc4)[Sn]45[O]3[Sn]32[O]4([Ge](c2ccccc2)(c2ccccc2)c2ccccc2)[Sn]1([O]75)[O]63)(c1ccccc1)c1ccccc1
• Title of publication: Activation of E-Cl bonds (E = C, Si, Ge and Sn) by a C,N-chelated stannylene.
• Authors of publication: Padělková, Zdeňka; Svec, Petr; Pejchal, Vladimír; Růžička, Aleš
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 21
• Pages of publication: 7660 - 7671
• a: 16.001 ± 0.0007 Å
• b: 16.001 ± 0.0007 Å
• c: 17.4671 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3873 ± 0.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No