Information card for entry 7128094

Structure parameters

• Formula: C27 H55 N9 Ru Si3
• Calculated formula: C27 H55 N9 Ru Si3
• SMILES: C[Si]1(C)N2C3N(CCC[N]=3[RuH]341([N]1CCCN6CCCN(C=16)[Si]3(C)C)[N]1CCCN3CCCN(C=13)[Si]4(C)C)CCC2
• 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: 9.3827 ± 0.0002 Å
• b: 18.4666 ± 0.0005 Å
• c: 18.9153 ± 0.0005 Å
• α: 90°
• β: 92.516 ± 0.001°
• γ: 90°
• Cell volume: 3274.23 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0383
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No