Information card for entry 7010143

Structure parameters

• Chemical name: [Ta Cl4 (N C6 H4 CMe3-2)(py)].pyH.C H2 Cl2
• Formula: C21 H26 Cl6 N3 Ta
• Calculated formula: C21 H26 Cl6 N3 Ta
• SMILES: [Ta](Cl)(Cl)(Cl)(Cl)(=Nc1ccccc1C(C)(C)C)[n]1ccccc1.[nH+]1ccccc1.ClCCl
• Title of publication: Regiospecific influences of phenyl ring substituents in monoimido complexes of tantalum and tungsten and bis imido complexes of molybdenum
• Authors of publication: Nielson, Alastair J.; Glenny, Mark W.; Rickard, Clifton E. F.; Waters, Joyce M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 4569
• a: 8.3472 ± 0.0001 Å
• b: 10.0506 ± 0.0002 Å
• c: 16.8679 ± 0.0002 Å
• α: 100.66°
• β: 93.253 ± 0.001°
• γ: 93.475 ± 0.001°
• Cell volume: 1384.81 ± 0.04 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No