Information card for entry 7013294

Structure parameters

• Formula: C15 H14 Cl N3 O2 P Rh
• Calculated formula: C15 H14 Cl N3 O2 P Rh
• SMILES: [Rh]1(Cl)([P](n2c(C(=[O]1)C)ccc2)(n1cccc1)n1cccc1)C#[O]
• Title of publication: Synthesis and reactivity of rhodium(i) complexes containing keto-functionalised N-pyrrolyl phosphine ligands
• Authors of publication: Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Palmer, Mark T.; Senia, Francesco; Varrone, Maurizio
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 19
• Pages of publication: 3717
• a: 23.251 ± 0.0003 Å
• b: 8.547 ± 0.0001 Å
• c: 17.326 ± 0.0002 Å
• α: 90°
• β: 105.143 ± 0.001°
• γ: 90°
• Cell volume: 3323.58 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No