Information card for entry 7014834

Structure parameters

• Formula: C21 H15 Cl F6 N5 P Pt
• Calculated formula: C21 H15 Cl F6 N5 P Pt
• SMILES: [Pt]12(=C3N(C=CN3Cc3ncccc3)c3[n]1c1c(cc3)ccc3c1[n]2ccc3)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Heterobimetallic complexes containing an N-heterocyclic carbene based multidentate ligand and catalyzed tandem click/Sonogashira reactions.
• Authors of publication: Gu, Shaojin; Xu, Daichao; Chen, Wanzhi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 1576 - 1583
• a: 14.2205 ± 0.0015 Å
• b: 10.3577 ± 0.001 Å
• c: 15.2229 ± 0.0017 Å
• α: 90°
• β: 101.391 ± 0.001°
• γ: 90°
• Cell volume: 2198 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0862
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No