Information card for entry 7009975

Structure parameters

• Formula: C34 H47 Cl N3 Re
• Calculated formula: C34 H47 Cl N3 Re
• SMILES: [Re](Cl)(=Nc1c(cccc1C(C)C)C(C)C)(=Nc1c(cccc1C(C)C)C(C)C)=Nc1ccccc1C(C)(C)C
• Title of publication: A systematic route to mixed imido complexes of rhenium
• Authors of publication: Burrell, Anthony K.; Steedman, Andrew J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 15
• Pages of publication: 2501
• a: 10.6026 ± 0.0002 Å
• b: 10.6126 ± 0.0002 Å
• c: 15.9334 ± 0.0001 Å
• α: 80.351 ± 0.001°
• β: 72.854 ± 0.001°
• γ: 81.98°
• Cell volume: 1681.18 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0253
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 0.704
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No