Information card for entry 7104815

Structure parameters

• Chemical name: Dichlorobis(dimethylphenylphosphine)(1,3,4-triphenyl-1,2,4-triazol-5-ylidene) nitridorhenium(V)
• Formula: C36 H37 Cl2 N4 P2 Re
• Calculated formula: C36 H37 Cl2 N4 P2 Re
• SMILES: [Re](#N)(Cl)(Cl)(=C1N(C(=NN1c1ccccc1)c1ccccc1)c1ccccc1)([P](c1ccccc1)(C)C)[P](c1ccccc1)(C)C
• Title of publication: Stable nitridorhenium(V) complexes with an N-heterocyclic carbene
• Authors of publication: Braband, Henrik; Abram, Ulrich
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 19
• Pages of publication: 2436 - 2437
• a: 10.825 ± 0.002 Å
• b: 31.595 ± 0.003 Å
• c: 11.319 ± 0.003 Å
• α: 90°
• β: 113.48 ± 0.01°
• γ: 90°
• Cell volume: 3550.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1725
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No