Information card for entry 4077601

Structure parameters

• Formula: C25 H47 N7 Si2 Ti
• Calculated formula: C25 H47 N7 Si2 Ti
• SMILES: [Ti]123([n]4c(C(CN2[Si](C)(C)C)(CN1[Si](C)(C)C)C)cccc4)N(C1=NCN(C=C1N3C)C)C(C)(C)C
• Title of publication: C−C and C−N Coupling Reactions of an Imidotitanium Complex with Isocyanides
• Authors of publication: Bashall, Allan; Collier, Philip E.; Gade, Lutz H.; McPartlin, Mary; Mountford, Philip; Pugh, Stephen M.; Radojevic, Sanja; Schubart, Martin; Scowen, Ian J.; Trösch, Dominique J. M.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 23
• Pages of publication: 4784
• a: 10.0312 ± 0.0018 Å
• b: 11.4608 ± 0.0014 Å
• c: 15.465 ± 0.002 Å
• α: 94.333 ± 0.008°
• β: 108.378 ± 0.013°
• γ: 111.976 ± 0.011°
• Cell volume: 1526.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0723
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No