Information card for entry 8100439

Structure parameters

• Formula: C26 H46 N6 O Si2 Ti
• Calculated formula: C26 H46 N6 O Si2 Ti
• SMILES: C[Si](C)(C)N1c2[n](ccc(c2)C)[Ti]123([O]=C1CCCCCN12)(N([Si](C)(C)C)c1[n]3ccc(c1)C)N(C)C
• Title of publication: Crystal structure of dimethylamido-hexahydro-2-azepinato-bis [2-(trimethylsilylamino)-4-methyl-pyridinato]-titanium(IV), C~26~H~46~N~6~OSi~2~Ti
• Authors of publication: Kempe, Rhett
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 4
• Pages of publication: 467 - 468
• a: 10.178 ± 0.002 Å
• b: 10.906 ± 0.002 Å
• c: 16.254 ± 0.003 Å
• α: 91.82 ± 0.014°
• β: 102.6 ± 0.015°
• γ: 112.81 ± 0.02°
• Cell volume: 1609.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1157
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No