Information card for entry 7012224

Structure parameters

• Chemical name: Compound 3
• Formula: C86 H136 P2 Pt
• Calculated formula: C86 H136 P2 Pt
• SMILES: C(#Cc1cc2C(c3ccccc3c2cc1)(CCCCCCCC)CCCCCCCC)[Pt]([P](CCCC)(CCCC)CCCC)(C#Cc1ccc2c3c(C(c2c1)(CCCCCCCC)CCCCCCCC)cccc3)[P](CCCC)(CCCC)CCCC
• Title of publication: Synthesis, characterisation and optical spectroscopy of diynes and poly-ynes containing derivatised fluorenes in the backbone
• Authors of publication: Muhammad S. Khan; Muna R. A. Al-Mandhary; Mohammed K. Al-Suti; Birte Ahrens; Mary F. Mahon; Louise Male; Paul R. Raithby; Clare E. Boothby; Anna Köhler
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 1
• Pages of publication: 74 - 84
• a: 9.1636 ± 0.0003 Å
• b: 26.4658 ± 0.0018 Å
• c: 16.5754 ± 0.0012 Å
• α: 90°
• β: 95.231 ± 0.004°
• γ: 90°
• Cell volume: 4003.2 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• 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: 0.0664
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No