Information card for entry 4132315

Structure parameters

• Chemical name: PG-180
• Formula: C27 H39 B Mo N6 O2 P
• Calculated formula: C27 H39 B Mo N6 O2 P
• SMILES: [Mo]12([P](C)(C)C)([n]3n(c(cc3C)C)[BH](n3[n]1c(cc3C)C)n1[n]2c(cc1C)C)(C#[O])C#[O].c1(ccccc1)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: 13.5487 ± 0.0004 Å
• b: 14.7499 ± 0.0005 Å
• c: 16.1417 ± 0.0005 Å
• α: 109.37 ± 0.002°
• β: 93.449 ± 0.003°
• γ: 98.756 ± 0.003°
• Cell volume: 2986.48 ± 0.17 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No