Information card for entry 4301295

Structure parameters

• Formula: C76 H158 Na2 O22 P4 Si2
• Calculated formula: C76 H158 Na2 O22 P4 Si2
• SMILES: C(C)(C)(C)[Si](C(C)(C)C)(C(C)(C)C)P=PP=P[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C.[Na]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)([O]1CCCC1)[O]1CCCC1.[Na]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)([O]1CCCC1)[O]1CCCC1.C1COCCOCCOCCOCCOCCO1
• Title of publication: Supersilylated Tetraphosphene Derivatives M2[t-Bu3SiPPPPSi-t-Bu3] (M = Li, Na, Rb, Cs) and Ba[t-Bu3SiPPPPSi-t-Bu3]: Reactivity and Cis-Trans Isomerization
• Authors of publication: Andreas Lorbach; Andor Nadj; Sandor Tüllmann; Franz Dornhaus; Frauke Schödel; Inge Sänger; Günter Margraf; Jan W. Bats; Michael Bolte; Max C. Holthausen; Matthias Wagner; Hans-Wolfram Lerner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1005 - 1017
• a: 16.006 ± 0.002 Å
• b: 23.823 ± 0.003 Å
• c: 16.436 ± 0.002 Å
• α: 90°
• β: 115.699 ± 0.01°
• γ: 90°
• Cell volume: 5647.3 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.3635
• Residual factor for significantly intense reflections: 0.2468
• Weighted residual factors for significantly intense reflections: 0.5331
• Weighted residual factors for all reflections included in the refinement: 0.5762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.361
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No