Molecular Coordination-Switch in a New Role: Controlling Highly Selective Catalytic Hydrogenation with Switchability Function
Semwal, Shrivats; Choudhury, Joyanta; ACS Catalysis 6 (2016) 2424–; doi:10.1021/acscatal.6b00150

data_4513838
_publ_section_title
;
 Molecular Coordination-Switch in a New Role: Controlling Highly Selective
 Catalytic Hydrogenation with Switchability Function
;
_journal_issue                   4
_journal_name_full               'ACS Catalysis'
_journal_page_first              2424
_journal_paper_doi               10.1021/acscatal.6b00150
_journal_volume                  6
_journal_year                    2016
_chemical_formula_sum            'C23 H25 I Ir N3'
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_chemical_name_systematic
;
 ?
;
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_cell_measurement_theta_max      23.254
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_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      160(2)
_diffrn_measured_fraction_theta_full 0.795
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0263
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_diffrn_reflns_Laue_measured_fraction_full 0.795
_diffrn_reflns_Laue_measured_fraction_max 0.998
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_diffrn_reflns_point_group_measured_fraction_full 0.795
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         23.254
_diffrn_reflns_theta_min         1.752
_exptl_absorpt_coefficient_mu    7.539
_exptl_absorpt_correction_T_max  0.467
_exptl_absorpt_correction_T_min  0.251
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.015
_exptl_crystal_description       needle
_exptl_crystal_F_000             628
_exptl_crystal_size_max          0.250
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_exptl_crystal_size_min          0.120
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_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0240P)^2^+1.5446P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2946
_reflns_number_total             3145
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            cs6b00150_si_002.cif
_cod_data_source_block           complex2
_cod_depositor_comments
'Adding full bibliography for 4513837--4513838.cif.'
_cod_database_code               4513838
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_shelx_hkl_checksum              93628