Reactions of [PhI(pyridine)2](2+) with Model Pd and Pt II/IV Redox Couples.
Corbo, Robert; Georgiou, Dayne C.; Wilson, David J. D.; Dutton, Jason L.; Inorganic chemistry 53 (2014) 1690–1698; doi:10.1021/ic402836d

data_4337379
_publ_section_title
;
 Reactions of [PhI(pyridine)2](2+) with Model Pd and Pt II/IV Redox
 Couples.
;
_journal_issue                   3
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1690
_journal_page_last               1698
_journal_paper_doi               10.1021/ic402836d
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C17 H16 F3 N3 O3 Pd S'
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_chemical_name_systematic
; 
 ? 
;
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_cell_angle_beta                 103.46(3)
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_cell_length_a                   8.2453(16)
_cell_length_b                   17.384(4)
_cell_length_c                   13.412(3)
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_computing_cell_refinement       'CrysAlisPro, Agilent Technologies'
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_computing_data_reduction        'CrysAlisPro, Agilent Technologies'
_computing_molecular_graphics    SHELXP
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0629
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_diffrn_reflns_limit_h_max       8
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_diffrn_reflns_limit_k_min       -18
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_diffrn_reflns_limit_l_min       -16
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_diffrn_reflns_theta_max         26.28
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    1.157
_exptl_absorpt_correction_T_max  0.7228
_exptl_absorpt_correction_T_min  0.5954
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrysAlisPro, Agilent Technologies'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.797
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.50
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_exptl_crystal_size_min          0.30
_refine_diff_density_max         2.018
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         3744
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_refine_ls_R_factor_all          0.0588
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0941P)^2^+5.3237P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1602
_refine_ls_wR_factor_ref         0.1608
_reflns_number_gt                3687
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic402836d_si_002.cif
_cod_data_source_block           14H
_cod_original_cell_volume        1869.7(6)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4337379