Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PC<sub>ylide</sub>N pincer ligand.
Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.; Chemical science 14 (2023) 3816–3825; doi:10.1039/d2sc06759e

data_1568645
_publ_section_title
;
 Probing the donor strength of yldiide ligands: synthesis, structure and
 reactivity of rhodium complexes with a PC<sub>ylide</sub>N pincer ligand.
;
_journal_issue                   14
_journal_name_full               'Chemical science'
_journal_page_first              3816
_journal_page_last               3825
_journal_paper_doi               10.1039/d2sc06759e
_journal_volume                  14
_journal_year                    2023
_chemical_formula_sum            'C53 H59 I N2 O P3 Rh'
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;
2022-11-19 deposited with the CCDC.	2023-03-13 downloaded from the CCDC.
;
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'CrysAlisPro convention (1999,Acta A55,543-557)'
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_diffrn_reflns_theta_max         76.778
_diffrn_reflns_theta_min         2.778
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.20a (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.416
_exptl_crystal_description       block
_exptl_crystal_F_000             1084
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_exptl_crystal_size_min          0.044
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_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0254
_refine_ls_R_factor_gt           0.0235
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0307P)^2^+1.3995P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0606
_refine_ls_wR_factor_ref         0.0615
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9509
_reflns_number_total             10165
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           SL-214
_cod_depositor_comments
'Adding full bibliography for 1568644--1568653.cif.'
_cod_database_code               1568645
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              27145
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