Information card for entry 4132314

Structure parameters

• Chemical name: PG-164
• Formula: C30 H56 B Mo N6 Na O7 P
• Calculated formula: C30 H56 B Mo N6 Na O7 P
• SMILES: [P]([Mo]123(C#[O][Na]45([O]#C1)([O](C)CC[O]5C)[O](CC[O]4C)C)[n]1c(C)cc(C)n1[BH](n1[n]2c(C)cc1C)n1[n]3c(C)cc1C)(C)(C)C.O(CCOC)C
• Title of publication: Linearly Two-Coordinated Silicon: Transition Metal Complexes with the Functional Groups M≡Si-M and M═Si═M.
• Authors of publication: Ghana, Priyabrata; Arz, Marius I.; Chakraborty, Uttam; Schnakenburg, Gregor; Filippou, Alexander C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 23
• Pages of publication: 7187 - 7198
• a: 17.2762 ± 0.0007 Å
• b: 14.4377 ± 0.0004 Å
• c: 16.8995 ± 0.0007 Å
• α: 90°
• β: 114.912 ± 0.003°
• γ: 90°
• Cell volume: 3823 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No