Electrochemically Controlling Ligand Binding Affinity for Transition Metals via RHLs: The Importance of Electrostatic Effects
Alan M. Allgeier; Caroline S. Slone; Chad A. Mirkin; Louise M. Liable-Sands; Glenn P. A. Yap; Arnold L. Rheingold; Journal of the American Chemical Society 119 (1997) 550–559; doi:10.1021/ja963008a

data_4116929
_publ_contact_author
;
    Professor Chad A. Mirkin
 Department of Chemistry; Northwestern University; 2145 Sheridan Road;
Evanston, IL 60208-3113
;
_publ_contact_author_email       ' camirkin@chem.nwu.edu '
_publ_contact_author_fax         ' (847) 491-7713 '
_publ_contact_author_phone       ' (847) 491-2907 '
_publ_section_title
;
 Electrochemically Controlling Ligand Binding Affinity for Transition
 Metals via RHLs: The Importance of Electrostatic Effects
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              550
_journal_page_last               559
_journal_paper_doi               10.1021/ja963008a
_journal_volume                  119
_journal_year                    1997
_chemical_compound_source        synthesized
_chemical_formula_moiety         'C H44 B3 F4 Fe O3 P2 Rh4 '
_chemical_formula_structural
;
[Rhodium(I)(1,1'-bis(2-diphenylphosphinoethoxy)ferrocene)][tetrafluoroborate]
tetrahydrofuran solvate
;
_chemical_formula_sum            'C H44 B3 F4 Fe O3 P2 Rh4'
_chemical_formula_weight         742.20
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_date             'Wed Sep 11 11:35:20 1996'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.838(2)
_cell_length_b                   17.799(6)
_cell_length_c                   21.939(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    426.4
_cell_measurement_theta_max      12.8
_cell_measurement_theta_min      10.3
_cell_volume                     3841.7(17)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      426.4
_diffrn_measurement_device       CAD4
_diffrn_measurement_method       'omega/theta scans'
_diffrn_orient_matrix_UB_11      0.04690
_diffrn_orient_matrix_UB_12      0.00186
_diffrn_orient_matrix_UB_13      -0.04040
_diffrn_orient_matrix_UB_21      -0.07319
_diffrn_orient_matrix_UB_22      -0.03198
_diffrn_orient_matrix_UB_23      -0.01806
_diffrn_orient_matrix_UB_31      -0.05268
_diffrn_orient_matrix_UB_32      0.04615
_diffrn_orient_matrix_UB_33      -0.01090
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0238
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4925
_diffrn_reflns_theta_max         26.96
_diffrn_standards_decay_%        -0.20
_diffrn_standards_interval_count 90
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.144
_exptl_absorpt_correction_T_max  0.929
_exptl_absorpt_correction_T_min  0.780
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   Tompa_analytical
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.283
_exptl_crystal_description       platey
_exptl_crystal_F_000             1444.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.67
_refine_diff_density_min         -0.64
_refine_ls_extinction_coef       0.28801
_refine_ls_extinction_method     Zachariasen_type_2_gaussian_isotropic
_refine_ls_goodness_of_fit_obs   1.270
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     463
_refine_ls_number_reflns         2763
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0476
_refine_ls_shift/esd_max         0.0380
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0444
_reflns_number_observed          2763
_reflns_number_total             4691
_reflns_observed_criterion       3.00
_cod_data_source_file            ja963008a_4.cif
_cod_data_source_block           Compound5
_cod_original_cell_volume        3841(2)
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_original_formula_sum        'C H44 B3 F4 Fe O3 P2 Rh4 '
_cod_database_code               4116929