Information card for entry 7001010

Structure parameters

• Formula: C24 H24 O2 P Re
• Calculated formula: C24 H24 O2 P Re
• SMILES: [Re]12345([P](C[c]61[c]2([c]3([c]4([c]56C)C)C)C)(c1ccccc1)c1ccccc1)(C#[O])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: 9.7394 ± 0.0005 Å
• b: 21.5708 ± 0.0011 Å
• c: 10.2864 ± 0.0005 Å
• α: 90°
• β: 102.685 ± 0.001°
• γ: 90°
• Cell volume: 2108.29 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0271
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No