Information card for entry 7011338

Structure parameters

• Chemical name: Compound 2M
• Formula: C50 H76 N2 P4 Pt2
• Calculated formula: C50 H76 N2 P4 Pt2
• SMILES: [Pt](C#Cc1nc(ccc1)c1nc(ccc1)C#C[Pt](c1ccccc1)([P](CC)(CC)CC)[P](CC)(CC)CC)(c1ccccc1)([P](CC)(CC)CC)[P](CC)(CC)CC
• 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: 23.54 ± 0.007 Å
• b: 9.389 ± 0.003 Å
• c: 25.662 ± 0.007 Å
• α: 90°
• β: 116.005 ± 0.014°
• γ: 90°
• Cell volume: 5098 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0683
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.286
• Diffraction radiation wavelength: 0.6898 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No