Information card for entry 4066985

Structure parameters

• Formula: C47 H45 Cl N2 O3 Pt
• Calculated formula: C47 H45 Cl N2 O3 Pt
• SMILES: [Pt]12(c3c(c4[n]1cccc4)cc(cc3c1[n]2cccc1)c1cc(cc2c1Oc1c(cc(cc1C2(C)C)C(C)(C)C)c1ccc(cc1)C(=O)OC)C(C)(C)C)Cl
• Title of publication: Congested Cyclometalated Platinum(II) Ditopic Frameworks and Their Phosphorescent Responses to S-Containing Amino Acids
• Authors of publication: Tong, Wah-Leung; Chan, Michael C. W.; Yiu, Shek-Man
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6377
• a: 19.0174 ± 0.0005 Å
• b: 18.5397 ± 0.0004 Å
• c: 11.4462 ± 0.0005 Å
• α: 90°
• β: 97.232 ± 0.003°
• γ: 90°
• Cell volume: 4003.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0486
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No