Information card for entry 1518860

Structure parameters

• Formula: C36 H42 B6 Br4 F24 Mo4 N14 O4
• Calculated formula: C36 H42 B6 Br4 F24 Mo4 N14 O4
• SMILES: [Mo]1([Mo]([O]=C(O1)c1c(Br)c(Br)c(C2=[O][Mo]([Mo](O2)([N]#CC)([N]#CC)[N]#CC)([N]#CC)([N]#CC)[N]#CC)c(Br)c1Br)([N]#CC)([N]#CC)[N]#CC)([N]#CC)([N]#CC)([N]#CC)[N]#CC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].N#CC
• Title of publication: Synthesis and characterization of dimeric and square-shaped dicarboxylate-bridged dimolybdenum(II) coordination compounds
• Authors of publication: Dominik Hohne; Eberhardt Herdtweck; Alexander Pothig; Fritz E. Kuhn
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 424
• Pages of publication: 210 - 215
• a: 11.3474 ± 0.0011 Å
• b: 11.756 ± 0.0011 Å
• c: 17.0657 ± 0.0016 Å
• α: 93.187 ± 0.005°
• β: 103.746 ± 0.005°
• γ: 118.08 ± 0.004°
• Cell volume: 1913.5 ± 0.3 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No