Information card for entry 7013489

Structure parameters

• Formula: C98 H82 O P6 Pt2
• Calculated formula: C98 H82 O P6 Pt2
• SMILES: [C]1([Pt]([P]#1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)C12c3c(cccc3)C([C]3[Pt]([P]#3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[P](c3ccccc3)(c3ccccc3)c3ccccc3)(c3c2cccc3)c2c1cccc2.O(CC)CC
• Title of publication: Synthesis, characterisation and reactivity of the first diphosphaalkyneElectronic supplementary information (ESI) available: Synthesis of compounds 1, 2, 3 and 5. See http://www.rsc.org/suppdata/dt/b3/b309061b/
• Authors of publication: Brym, Markus; Jones, Cameron
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 19
• Pages of publication: 3665
• a: 24.329 ± 0.005 Å
• b: 26.421 ± 0.005 Å
• c: 13.27 ± 0.003 Å
• α: 90°
• β: 105.04 ± 0.03°
• γ: 90°
• Cell volume: 8238 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.194
• Weighted residual factors for all reflections included in the refinement: 0.2057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No