Information card for entry 7001009

Structure parameters

• Formula: C23 H24 I2 O P Re
• Calculated formula: C23 H24 I2 O P Re
• SMILES: [Re]12345(I)(I)([P](C[c]61[c]2([c]3([c]4([c]56C)C)C)C)(c1ccccc1)c1ccccc1)C#[O]
• Title of publication: Synthesis, reactivity and molecular structure of phosphino tetramethyl cyclopentadienyl complex (η5: η1-C5Me4CH2PPh2)Re(CO)2
• Authors of publication: Godoy, Fernando; Klahn, A. Hugo; Oelckers, Beatriz; Garland, María Teresa; Ibáñez, Andres; Perutz, Robin N.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 16
• Pages of publication: 3044 - 3051
• a: 15.136 ± 0.0015 Å
• b: 8.798 ± 0.0008 Å
• c: 17.9659 ± 0.0017 Å
• α: 90°
• β: 103.464 ± 0.002°
• γ: 90°
• Cell volume: 2326.7 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No