Information card for entry 2204607

Structure parameters

• Chemical name: Bis[3-(trimethylsilyl)propyl] methylenebisphosphonate
• Formula: C13 H34 O6 P2 Si2
• Calculated formula: C13 H34 O6 P2 Si2
• SMILES: C(CC[Si](C)(C)C)OP(=O)(CP(=O)(O)OCCC[Si](C)(C)C)O
• Title of publication: Bis[3-(trimethylsilyl)propyl] methylenebisphosphonate
• Authors of publication: McLauchlan, Craig C.; Stepinski, Dominique C.; Herlinger, Albert W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2232 - o2234
• a: 6.534 ± 0.002 Å
• b: 11.13 ± 0.002 Å
• c: 16.325 ± 0.002 Å
• α: 100.64 ± 0.01°
• β: 100.25 ± 0.01°
• γ: 106.23 ± 0.02°
• Cell volume: 1086.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes