Information card for entry 7000175

Structure parameters

• Common name: 1,4-(Bis-4,4'- (tetracarbonyl(bisdimethylphosphinemethane)dicobalt) -3,3'- (trimethylsilylethynyl)thiophene))-1,3-butadiyne
• Chemical name: 1,4-[Bis-4,4'-(tetracarbonyl(bisdimethylphosphinemethane)dicobalt) -3,3'-(trimethylsilylethynyl)thiophene)]-1,3-butadiyne
• Formula: C40 H50 Co4 O8 P4 S2 Si2
• Calculated formula: C40 H50 Co4 O8 P4 S2 Si2
• SMILES: C(#Cc1c(csc1)[C]12=[C]3([Co]41([P](C[P](C)(C)[Co]234(C#[O])C#[O])(C)C)(C#[O])C#[O])[Si](C)(C)C)C#Cc1cscc1[C]12=[C]3([Co]41([P](C[P](C)(C)[Co]234(C#[O])C#[O])(C)C)(C#[O])C#[O])[Si](C)(C)C
• Title of publication: Electronic communication through a poly-yne carbonyldicobalt complex containing an open linear triosmium cluster
• Authors of publication: Arnanz, Avelina; Marcos, María-Luisa; Delgado, Salomé; González-Velasco, Jaime; Moreno, Consuelo
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 1
• Pages of publication: 168 - 176
• a: 9.0069 ± 0.0001 Å
• b: 10.3126 ± 0.0001 Å
• c: 14.5585 ± 0.0002 Å
• α: 88.175 ± 0.001°
• β: 81.542 ± 0.001°
• γ: 70.015 ± 0.001°
• Cell volume: 1256.76 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0346
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No