Information card for entry 4310023

Structure parameters

• Formula: C76 H148 Cr2 Li14 O12 Si12
• Calculated formula: C76 H128 Cr2 Li14 O12 Si12
• SMILES: [Cr]12345[C]67(#C[Si](C)(C)C)[Li]89[C]%10(#C[Si](C)(C)C)[Li]%11%12[C]%13(#C[Si](C)(C)C)[Cr]%14%15%16%17[C]%18%19(#C[Si](C)(C)C)[Li]%20%21[C]%22(#C[Si](C)(C)C)[Li]%23([C]1(#C[Si](C)(C)C)[Li]1%24[C]%25(#C[Si](C)(C)C)[Li]([C]%14(#C[Si](C)(C)C)[Li]%14%25[O]3%11%151[Li]6%10[O](CC[O]%14C)C)([C]%20(#C[Si](C)(C)C)[Li]1%19[O](C)CC[O]1C)[O]%17%21%23%24)[O]134%16[Li]4%13[C]6(#C[Si](C)(C)C)[Li]%10([C]2(#C[Si](C)(C)C)([Li]16[O](C)CC[O](C)[Li]%18%223)[Li]17([C]8%10#C[Si](C)(C)C)[O](C)CC[O]1C)[O]59%124
• Title of publication: Homoleptic Trimethylsilylacetylide Complexes of Chromium(III), Iron(II), and Cobalt(III): Syntheses, Structures, and Ligand Field Parameters
• Authors of publication: Louise A. Berben; Jeffrey R. Long
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8459 - 8468
• a: 14.258 ± 0.005 Å
• b: 17.936 ± 0.006 Å
• c: 22.374 ± 0.008 Å
• α: 90°
• β: 95.467 ± 0.012°
• γ: 90°
• Cell volume: 5696 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 133 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections: 0.1494
• Weighted residual factors for significantly intense reflections: 0.1344
• Goodness-of-fit parameter for all reflections: 0.963
• Goodness-of-fit parameter for significantly intense reflections: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No