Information card for entry 4078935

Structure parameters

• Formula: C67 H50 Cl2 F8 N3 O11 P2 Pt Re2 S
• Calculated formula: C67 H50 Cl2 F8 N3 O11 P2 Pt Re2 S
• SMILES: [Pt]([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)(C#Cc1[n]([Re](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[nH][n]([c]23[Re]456(C#[O])(C#[O])(C#[O])[cH]2[cH]4[cH]5[cH]36)c1)c1c(c(c(c(c1F)F)F)F)F.S(=O)(=O)([O-])C(F)(F)F.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: 12.815 ± 0.003 Å
• b: 24.031 ± 0.006 Å
• c: 24.532 ± 0.006 Å
• α: 90°
• β: 102.149 ± 0.012°
• γ: 90°
• Cell volume: 7386 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 10
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No