Information card for entry 7011336

Structure parameters

• Chemical name: Compound 3a
• Formula: C25 H27 N3 Si2
• Calculated formula: C25 H27 N3 Si2
• SMILES: [Si](C)(C)(C)C#Cc1nc(ccc1)c1nc(ccc1)c1nc(ccc1)C#C[Si](C)(C)C
• Title of publication: Structural characterisation of a series of acetylide-functionalised oligopyridines and the synthesis, characterisation and optical spectroscopy of platinum di-ynes and poly-ynes containing oligopyridyl linker groups in the backbone
• Authors of publication: Muhammad S. Khan; Muna R. A. Al-Mandhary; Mohammed K. Al-Suti; Abdul Khader Hisahm; Paul R. Raithby; Birte Ahrens; Mary F. Mahon; Louise Male; Elisabeth A. Marseglia; Emilio Tedesco; Richard H. Friend; Anna Köhler; Neil Feeder; Simon J. Teat
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 1358 - 1368
• a: 6.3543 ± 0.0008 Å
• b: 10.844 ± 0.002 Å
• c: 17.722 ± 0.004 Å
• α: 84.891 ± 0.008°
• β: 86.268 ± 0.01°
• γ: 82.049 ± 0.01°
• Cell volume: 1202.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1393
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No