Information card for entry 4302331

Structure parameters

• Common name: Compound X
• Formula: C99 H68 Cd2 F20 N6 O4 Pt2
• Calculated formula: C99 H68 Cd2 F20 N6 O4 Pt2
• SMILES: [Pt]1([C](#Cc2ccc(cc2)C)[Cd]23([n]4ccccc4c4[n]3c(ccc4)c3[n]2cccc3)[C]1#Cc1ccc(cc1)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[OH2][Cd]123([C](#Cc4ccc(cc4)C)[Pt]([C]3#Cc3ccc(cc3)C)(c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c3F)[n]3ccccc3c3[n]1c(ccc3)c1[n]2cccc1.O=C(C)C.O=C(C)C.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: 15.1965 ± 0.0002 Å
• b: 15.5331 ± 0.0002 Å
• c: 19.7826 ± 0.0003 Å
• α: 83.921 ± 0.001°
• β: 87.179 ± 0.001°
• γ: 76.547 ± 0.001°
• Cell volume: 4514.53 ± 0.11 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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: 0.0799
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4338562
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No