Information card for entry 4347720

Structure parameters

• Formula: C22 H25 N Si2
• Calculated formula: C22 H25 N Si2
• SMILES: [nH]1c2ccc(C#C[Si](C)(C)C)cc2c2cc(C#C[Si](C)(C)C)ccc12
• Title of publication: Experimental and Theoretical Investigation for the Level of Conjugation in Carbazole-Based Precursors and Their Mono-, Di-, and Polynuclear Pt(II) Complexes.
• Authors of publication: Al-Balushi, Rayya A; Haque, Ashanul; Jayapal, Maharaja; Al-Suti, Mohammed K; Husband, John; Khan, Muhammad S.; Koentjoro, Olivia F.; Molloy, Kieran C.; Skelton, Jonathan M.; Raithby, Paul R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 13
• Pages of publication: 6465 - 6480
• a: 6.1804 ± 0.0002 Å
• b: 10.9724 ± 0.0004 Å
• c: 16.4113 ± 0.0005 Å
• α: 90°
• β: 90.271 ± 0.002°
• γ: 90°
• Cell volume: 1112.9 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No