Information card for entry 7110498

Structure parameters

• Formula: C46 H48 N2 O4 Os P2 S2 Si
• Calculated formula: C46 H48 N2 O4 Os P2 S2 Si
• SMILES: [Os]1([Si]23OCCN(CCO2)CCO3)([S]=C(S1)N(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
• Title of publication: The synthesis and crystal structure of the first metal-bound stannatrane complex Os(Sn[OCH2CH2]3N)(η2-S2CNMe2)(CO)(PPh3)2: structural comparisons with the analogous silatrane complex Os(Si[OCH2CH2]3N)(η2-S2CNMe2)(CO)(PPh3)2
• Authors of publication: Rickard, Clifton E. F.; Roper, Warren R.; Woodman, Timothy J.; James Wright, L.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 9
• Pages of publication: 837
• a: 19.9139 ± 0.0002 Å
• b: 9.9449 ± 0.0001 Å
• c: 22.2254 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4401.56 ± 0.07 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 8
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No