Information card for entry 7105157

Structure parameters

• Formula: C12 H34 Cl2 N4 O2 P2 Pt
• Calculated formula: C12 H34 Cl2 N4 O2 P2 Pt
• SMILES: C[P]([Pt](=C1NCCN1)(=C1NCCN1)[P](C)(C)C)(C)C.O.[Cl-].O.[Cl-]
• Title of publication: Template-controlled synthesis of a planar [16]ane-P2C(NHC)2 macrocycle.
• Authors of publication: Flores-Figueroa, Aarón; Pape, Tania; Feldmann, Kai-Oliver; Hahn, F Ekkehardt
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 46
• Journal issue: 2
• Pages of publication: 324 - 326
• a: 8.3796 ± 0.0007 Å
• b: 8.5616 ± 0.0007 Å
• c: 9.4705 ± 0.0012 Å
• α: 109.155 ± 0.001°
• β: 106.715 ± 0.001°
• γ: 107.27 ± 0.001°
• Cell volume: 554.25 ± 0.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0186
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No