Information card for entry 7011337

Structure parameters

• Chemical name: Compound 4a
• Formula: C31 H31 N3 Si2
• Calculated formula: C31 H31 N3 Si2
• SMILES: [Si](C#Cc1nc(c2nc(c3nc(C#C[Si](C)(C)C)ccc3)cc(c3ccccc3)c2)ccc1)(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: 11.389 ± 0.006 Å
• b: 13.353 ± 0.011 Å
• c: 19.54 ± 0.016 Å
• α: 94.69 ± 0.03°
• β: 99.71 ± 0.05°
• γ: 90.48 ± 0.05°
• Cell volume: 2918 ± 4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.112
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1777
• Weighted residual factors for all reflections included in the refinement: 0.2086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No