Information card for entry 4079574

Structure parameters

• Formula: C80 H104 N8 Nb2 O14 Re2
• Calculated formula: C80 H104 N8 Nb2 O14 Re2
• SMILES: [Re](O[Nb]1234(O[Nb]567(O1)(O[Re](=O)(=O)=O)Oc1c(C=[N]7c7c([N]5=Cc5c(O6)c(cc(c5)C(C)(C)C)C(C)(C)C)cccc7)cc(cc1C(C)(C)C)C(C)(C)C)Oc1c(C=[N]4c4c([N]2=Cc2c(O3)c(cc(c2)C(C)(C)C)C(C)(C)C)cccc4)cc(cc1C(C)(C)C)C(C)(C)C)(=O)(=O)=O.N#CC.N#CC.N#CC.N#CC
• Title of publication: Homogeneous Model Complexes for Supported Rhenia Metathesis Catalysts
• Authors of publication: Lai, Yu-Ying; Bornand, Marc; Chen, Peter
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 21
• Pages of publication: 7558
• a: 14.2665 ± 0.0003 Å
• b: 29.5664 ± 0.0007 Å
• c: 20.3114 ± 0.0004 Å
• α: 90°
• β: 91.759 ± 0.002°
• γ: 90°
• Cell volume: 8563.5 ± 0.3 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1259
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No