Information card for entry 4132318

Structure parameters

• Formula: C70 H128 B2 K2 Mo2 N12 O22 Si
• Calculated formula: C70 H128 B2 K2 Mo2 N12 O22 Si
• SMILES: c1(cc(C)n2[BH]3n4c(cc(C)[n]4[Mo]([n]12)([n]1n3c(cc1C)C)(=[Si]=[Mo]12([n]3c(cc(C)n3[BH](n3c(cc(C)[n]13)C)n1[n]2c(cc1C)C)C)(C#[O])C#[O])(C#[O])C#[O])C)C.[K]123456([O](C)CC[O]1CC[O]2C)([O](C)CC[O]3CC[O]4C)[O](C)CC[O]5CC[O]6C.[K]123456([O](C)CC[O]1CC[O]2C)([O](C)CC[O]3CC[O]4C)[O](C)CC[O]5CC[O]6C
• 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: 18.5406 ± 0.0005 Å
• b: 24.8594 ± 0.0006 Å
• c: 19.5832 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9026.1 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No