Information card for entry 4082363

Structure parameters

• Formula: C24 H29 Cl F6 P Rh Se2
• Calculated formula: C24 H29 Cl F6 P Rh Se2
• SMILES: c1(ccccc1)[Se]1CC[Se](c2ccccc2)[Rh]23451([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: (η5-Cp*)Rh(III)/Ir(III) Complexes with Bis(chalcogenoethers) (E, E′ Ligands: E = S/Se; E′ = S/Se): Synthesis, Structure, and Applications in Catalytic Oppenauer-Type Oxidation and Transfer Hydrogenation
• Authors of publication: Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham L.; Singh, Ajai K.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 4
• Pages of publication: 983
• a: 10.1066 ± 0.0018 Å
• b: 11.373 ± 0.002 Å
• c: 13.202 ± 0.002 Å
• α: 104.788 ± 0.003°
• β: 97.129 ± 0.003°
• γ: 102.721 ± 0.003°
• Cell volume: 1404.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No