Photo-initiated Thiol-ene Click Reactions as a Potential Strategy for Incorporation of [MI(CO)3]+ (M = Re, 99mTc) Complexes
Thomas R. Hayes; Patrice A. Lyon; Elsa Silva-Lopez; Brendan Twamley; Paul D. Benny; Inorganic Chemistry 52 (2013) 3259–3267; doi:10.1021/ic302771f

data_4334224
_publ_contact_author_address
;Paul Benny
Associate Professor
Department of Chemistry
Washington State University
PO BOX 644630
Pullman, WA 99164-4630
USA
;
_publ_contact_author_email       bennyp@wsu.edu
_publ_contact_author_fax         (509)-335-8867
_publ_contact_author_name        'Paul Benny'
_publ_contact_author_phone       (509)-335-3858
_publ_section_title
;
 Photo-initiated Thiol-ene Click Reactions as a Potential Strategy for
 Incorporation of [MI(CO)3]+ (M = Re, 99mTc) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3259
_journal_page_last               3267
_journal_paper_doi               10.1021/ic302771f
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C18 H17 N3 O3 Re, C F3 O3 S'
_chemical_formula_sum            'C19 H17 F3 N3 O6 Re S'
_chemical_formula_weight         658.62
_chemical_name_common            RRe(CO)3
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.0360(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.8767(7)
_cell_length_b                   20.2107(15)
_cell_length_c                   12.5708(9)
_cell_measurement_reflns_used    9851
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      30.05
_cell_measurement_theta_min      2.61
_cell_volume                     2144.4(3)
_computing_cell_refinement       'SAINT+  v. 7.23a (Bruker, 2006)'
_computing_data_collection       'SMART v. 5.632 (Bruker, 2006)'
_computing_data_reduction        'SAINT+  v. 7.23a (Bruker, 2006)'
_computing_molecular_graphics    'XP, SHELXTL  v. 6.14 (Bruker, 2003)'
_computing_publication_material  'XCIF, SHELXTL, v. 6.14 (Bruker, 2003)'
_computing_structure_refinement  'XL, SHELXTL  v. 6.14 (Bruker, 2003)'
_computing_structure_solution    'XS, SHELXTL  v. 6.14 (Bruker, 2003)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker/Siemens SMART APEX'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0433
_diffrn_reflns_av_sigmaI/netI    0.0275
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            31373
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         1.98
_diffrn_source                   'normal-focus sealed tube'
_exptl_absorpt_coefficient_mu    5.833
_exptl_absorpt_correction_T_max  0.8002
_exptl_absorpt_correction_T_min  0.3883
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2007/4 (Bruker, 2007)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.040
_exptl_crystal_description       plate
_exptl_crystal_F_000             1272
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.143
_refine_diff_density_min         -1.812
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         3887
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0309
_refine_ls_R_factor_gt           0.0265
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0426P)^2^+1.2915P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0660
_refine_ls_wR_factor_ref         0.0687
_reflns_number_gt                3455
_reflns_number_total             3887
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ic302771f_si_002.cif
_cod_data_source_block           bt1252
_cod_database_code               4334224