Information card for entry 4078933

Structure parameters

• Formula: C62 H51 Cl4 F5 N3 O3 P2 Pt Re
• Calculated formula: C62 H51 Cl4 F5 N3 O3 P2 Pt Re
• SMILES: [Pt]([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)(C#Cc1cn([c]23[cH]4[Re]562([cH]3[cH]5[cH]46)(C#[O])(C#[O])C#[O])nn1)c1c(c(c(c(c1F)F)F)F)F.C(Cl)Cl.C(Cl)Cl
• Title of publication: Toward Permetalated Alkyne/Azide 3 + 2 or “Click” Cycloadducts
• Authors of publication: Clough, Melissa C.; Zeits, Paul D.; Bhuvanesh, Nattamai; Gladysz, John A.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5231
• a: 11.5032 ± 0.0017 Å
• b: 12.3428 ± 0.0018 Å
• c: 21.855 ± 0.003 Å
• α: 100.45 ± 0.007°
• β: 93.729 ± 0.007°
• γ: 104.277 ± 0.007°
• Cell volume: 2937.6 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No