Information card for entry 2015818

Structure parameters

• Common name: P,P'-di[3-(trimethylsilyl)-1-propyl] ethylenebisphosphonic acid
• Chemical name: Bis[3-(trimethylsilyl)propyl] ethylenebisphosphonate
• Formula: C14 H36 O6 P2 Si2
• Calculated formula: C14 H36 O6 P2 Si2
• SMILES: C(CC[Si](C)(C)C)OP(=O)(CCP(=O)(O)OCCC[Si](C)(C)C)O
• Title of publication: Bis[3-(trimethylsilyl)propyl] ethylenebisphosphonate, H~2~DTMSP[EBP]
• Authors of publication: McLauchlan, Craig C.; Ziegler, Amanda J.; Sosnowski, Cyndi R.; Herlinger, Albert W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o132 - o134
• a: 7.6865 ± 0.0003 Å
• b: 11.0294 ± 0.0008 Å
• c: 26.8912 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2279.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes