Information card for entry 4302329

Structure parameters

• Common name: Compound X
• Formula: C55 H32 Cd F10 N4 O Pt
• Calculated formula: C55 H32 Cd F10 N4 O Pt
• SMILES: [Pt]1([C](#Cc2ccccc2)[Cd]23([n]4cccc5c4c4[n]3cccc4cc5)([n]3cccc5c3c3[n]2cccc3cc5)[C]1#Cc1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.O=C(C)C
• Title of publication: Self-Assembly of Luminescent Alkynyl-Based Platinum‒Cadmium Complexes Containing Auxiliary Diimine or Terpyridine Ligands
• Authors of publication: Berenguer, Jesús R; Gil, Belén; Fernández, Julio; Forniés, Juan; Lalinde, Elena
• Journal of publication: Inorganic chemistry
• Year of publication: 2009
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 5250 - 5262
• a: 11.1692 ± 0.0002 Å
• b: 12.4612 ± 0.0002 Å
• c: 19.4842 ± 0.0005 Å
• α: 92.699 ± 0.001°
• β: 102.599 ± 0.001°
• γ: 116.275 ± 0.002°
• Cell volume: 2340.91 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4338560
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No