Information card for entry 4322095

Structure parameters

• Chemical name: tetrakis(thf)calcium bis(2,5-diphenyl-3,4-bis(trimethylsilyl)phosphacyclopentadienide
• Formula: C74 H104 Ca O4 P2 Si4
• Calculated formula: C74 H104 Ca O4 P2 Si4
• SMILES: [Ca]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)(P1C(=C(C(=C1c1ccccc1)[Si](C)(C)C)[Si](C)(C)C)c1ccccc1)P1C(=C(C(=C1c1ccccc1)[Si](C)(C)C)[Si](C)(C)C)c1ccccc1.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: 2,5-Diphenyl-3,4-bis(trimethylsilyl)-1-phosphacyclopentadienide as a Ligand at Calcium, Strontium, and Tin(II)
• Authors of publication: Matthias Westerhausen; Matthias H. Digeser; Heinrich Nöth; Werner Ponikwar; Thomas Seifert; Kurt Polborn
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3207 - 3214
• a: 21.089 ± 0.003 Å
• b: 12.962 ± 0.002 Å
• c: 27.353 ± 0.003 Å
• α: 90 ± 0.012°
• β: 93.365 ± 0.01°
• γ: 90 ± 0.012°
• Cell volume: 7464.2 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections: 0.1381
• Weighted residual factors for significantly intense reflections: 0.1227
• Goodness-of-fit parameter for all reflections: 1.075
• Goodness-of-fit parameter for significantly intense reflections: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No