Information card for entry 7010555

Structure parameters

• Formula: C24 H32 Mo Te
• Calculated formula: C24 H32 Mo Te
• SMILES: [MoH]12345678([Te]c9ccccc9)([c]9([cH]4[cH]3[cH]2[cH]19)C(C)(C)C)[c]1([cH]5[cH]6[cH]7[cH]81)C(C)(C)C
• Title of publication: The syntheses, structures and reactivity of bis(tert-butylcyclopentadienyl)molybdenum derivatives: nitrogen alkylation of an η2-acetonitrile ligand and influence of the chalcogen on the barrier to inversion of chalcogenoether adducts
• Authors of publication: Shin, Jun Ho; Savage, William; Murphy, Vincent J.; Bonanno, Jeffrey B.; Churchill, David G.; Parkin, Gerard
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 11
• Pages of publication: 1732
• a: 8.665 ± 0.002 Å
• b: 16.169 ± 0.003 Å
• c: 16.242 ± 0.003 Å
• α: 90°
• β: 93.43 ± 0.02°
• γ: 90°
• Cell volume: 2271.5 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0907
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections: 0.1276
• Weighted residual factors for significantly intense reflections: 0.1094
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No