Information card for entry 7128095

Structure parameters

• Formula: C56 H53 B F24 N6 Ru Si3
• Calculated formula: C56 H53 B F24 N6 Ru Si3
• SMILES: c1cccc2[n]1[Ru]1345([n]6ccccc6N(C)[Si]1(C)(C)[H]5)([n]1ccccc1N(C)[Si]3(C)(C)[H]4)[Si](C)(C)N2C.c1(cc(cc(c1)C(F)(F)F)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Towards accurate and precise positions of hydrogen atoms bonded to heavy metal atoms.
• Authors of publication: Woińska, Magdalena; Chodkiewicz, Michał L; Woźniak, Krzysztof
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 30
• Pages of publication: 3652 - 3655
• a: 13.9065 ± 0.0003 Å
• b: 12.1742 ± 0.0003 Å
• c: 18.3076 ± 0.0004 Å
• α: 90°
• β: 94.385 ± 0.002°
• γ: 90°
• Cell volume: 3090.41 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0579
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No