Information card for entry 4132317

Structure parameters

• Formula: C26 H38 B Mo N6 O2 P
• Calculated formula: C26 H38 B Mo N6 O2 P
• SMILES: [MoH]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].c1ccccc1
• 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: 13.5471 ± 0.0004 Å
• b: 14.2491 ± 0.0004 Å
• c: 16.299 ± 0.0005 Å
• α: 109.005 ± 0.002°
• β: 95.885 ± 0.002°
• γ: 95.334 ± 0.002°
• Cell volume: 2932.26 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0344
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No