Electrical-field-induced structural change and charge transfer of lanthanide-salophen complexes assembled on carbon nanotube field effect transistor devices
Gurvan Magadur; Fatima Bouanis; Evgeny Norman; Regis Guillot; Jean-Sebastien Lauret; Vincent Huc; Costel-Sorin Cojocaru; Talal Mallah; Chem.Commun. 48 (2012) 9071–; doi:10.1039/c2cc34134d

data_7108265
_publ_section_title
;
 Electrical-field-induced structural change and charge transfer of
 lanthanide-salophen complexes assembled on carbon nanotube field effect
 transistor devices
;
_journal_name_full               Chem.Commun.
_journal_page_first              9071
_journal_paper_doi               10.1039/c2cc34134d
_journal_volume                  48
_journal_year                    2012
_chemical_formula_moiety         '2(C62 H48 N6 O7 Tb2), H2 O'
_chemical_formula_sum            'C62 H49 N6 O7.5 Tb2'
_chemical_formula_weight         1315.93
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 113.134(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.027(3)
_cell_length_b                   23.021(3)
_cell_length_c                   22.557(2)
_cell_measurement_reflns_used    5076
_cell_measurement_temperature    100(1)
_cell_measurement_theta_max      20.84
_cell_measurement_theta_min      2.20
_cell_volume                     10519(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(1)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1416
_diffrn_reflns_av_sigmaI/netI    0.0868
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            76551
_diffrn_reflns_theta_full        20.90
_diffrn_reflns_theta_max         20.90
_diffrn_reflns_theta_min         1.01
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              'kappa X8 APEX II Bruker ICMMO'
_exptl_absorpt_coefficient_mu    2.731
_exptl_absorpt_correction_T_max  0.9746
_exptl_absorpt_correction_T_min  0.5308
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'pale green'
_exptl_crystal_density_diffrn    1.662
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             5224
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_refine_diff_density_max         2.210
_refine_diff_density_min         -2.001
_refine_diff_density_rms         0.206
_refine_ls_extinction_coef       0.000051(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     706
_refine_ls_number_reflns         11062
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.1122
_refine_ls_R_factor_gt           0.0690
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0648P)^2^+235.5723P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1581
_refine_ls_wR_factor_ref         0.1832
_reflns_number_gt                7583
_reflns_number_total             11062
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc34134d.txt
_cod_data_source_block           Tb2salophen3
_cod_original_cell_volume        10518(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7108265