Information card for entry 4074826

Structure parameters

• Formula: C57 H50 Cl N4 O P2 Rh
• Calculated formula: C57 H50 Cl N4 O P2 Rh
• SMILES: [O]#C[Rh](Cl)([P]1([C@H](N2Cc3c(CN2[C@@H]1c1ccccc1)cccc3)c1ccccc1)c1ccccc1)[P]1([C@@H](c2ccccc2)N2Cc3ccccc3CN2[C@@H]1c1ccccc1)c1ccccc1.[O]#C[Rh](Cl)([P]1([C@@H](N2Cc3c(CN2[C@H]1c1ccccc1)cccc3)c1ccccc1)c1ccccc1)[P]1([C@H](c2ccccc2)N2Cc3ccccc3CN2[C@H]1c1ccccc1)c1ccccc1
• Title of publication: Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes
• Authors of publication: Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 6
• Pages of publication: 1377 - 1391
• a: 16.6469 ± 0.0013 Å
• b: 14.1423 ± 0.0011 Å
• c: 20.3512 ± 0.0015 Å
• α: 90°
• β: 99.095 ± 0.001°
• γ: 90°
• Cell volume: 4731 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0282
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No