Using Ligand-Accelerated Catalysis to Repurpose Fluorogenic Reactions for Platinum or Copper
Pham, Dianne; Deter, Carly J.; Reinard, Mariah C.; Gibson, Gregory A.; Kiselyov, Kirill; Yu, Wangjie; Sandulache, Vlad C.; St. Croix, Claudette M.; Koide, Kazunori; ACS Central Science  (2020) –; doi:10.1021/acscentsci.0c00676

data_4518055
_publ_section_title
;
 Using Ligand-Accelerated Catalysis to Repurpose Fluorogenic Reactions for
 Platinum or Copper
;
_journal_name_full               'ACS Central Science'
_journal_paper_doi               10.1021/acscentsci.0c00676
_journal_year                    2020
_chemical_formula_sum            'C36 H24 Cl2 F6 P2 Pt'
_chemical_formula_weight         898.48
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 94.192(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.2481(5)
_cell_length_b                   10.8413(5)
_cell_length_c                   29.7499(14)
_cell_measurement_temperature    230(2)
_cell_volume                     3296.5(3)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      230(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0490
_diffrn_reflns_av_unetI/netI     0.0371
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            27875
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.235
_diffrn_reflns_theta_min         2.979
_exptl_absorpt_coefficient_mu    10.906
_exptl_crystal_density_diffrn    1.810
_exptl_crystal_F_000             1744
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.749
_refine_diff_density_min         -0.562
_refine_diff_density_rms         0.087
_refine_ls_extinction_coef       0.00002(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   0.779
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     521
_refine_ls_number_reflns         5997
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.779
_refine_ls_R_factor_all          0.0333
_refine_ls_R_factor_gt           0.0246
_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^)+(0.0680P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0660
_refine_ls_wR_factor_ref         0.0731
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5126
_reflns_number_total             5997
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            oc0c00676_si_002.cif
_cod_data_source_block           pham_ptiitfpp_a
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4518055
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.380
_shelx_estimated_absorpt_t_max   0.811
_shelx_res_checksum              30911
_shelx_hkl_checksum              68649