Information card for entry 7019515

Structure parameters

• Formula: C38.5 H47 Cl N4 O3 Pt
• Calculated formula: C38.5 H47 Cl N4 O3 Pt
• SMILES: [Pt]12([n]3c(c4[n]1cccc4)cccc3c1ccc(OCCCCCCCC)cc21)C#CC1N(C(=O)NC(=O)C=1)CCCCCCCC.ClCCl
• Title of publication: Design and controlled emission properties of bioorganometallic compounds composed of uracils and organoplatinum(ii) moieties.
• Authors of publication: Moriuchi, Toshiyuki; Sakamoto, Yuki; Noguchi, Shunichi; Fujiwara, Takashi; Akine, Shigehisa; Nabeshima, Tatsuya; Hirao, Toshikazu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 28
• Pages of publication: 8524 - 8531
• a: 12.108 ± 0.0004 Å
• b: 14.5494 ± 0.0005 Å
• c: 20.4353 ± 0.0007 Å
• α: 89.7533 ± 0.0009°
• β: 88.4541 ± 0.0009°
• γ: 83.7668 ± 0.0009°
• Cell volume: 3577.4 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.2142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No