Binuclear Lanthanide-Radical Complexes Featuring Two Centers with Different Magnetic and Luminescence Properties.
Reis, Samira G.; Briganti, Matteo; Soriano, Stéphane; Guedes, Guilherme P.; Calancea, Sergiu; Tiseanu, Carmen; Novak, Miguel A.; Del Águila-Sánchez, Miguel A; Totti, Federico; Lopez-Ortiz, Fernando; Andruh, Marius; Vaz, Maria G. F.; Inorganic chemistry 55 (2016) 11676–11684; doi:10.1021/acs.inorgchem.6b01616

data_4348781
_publ_section_title
;
 Binuclear Lanthanide-Radical Complexes Featuring Two Centers with
 Different Magnetic and Luminescence Properties.
;
_journal_issue                   22
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11676
_journal_page_last               11684
_journal_paper_doi               10.1021/acs.inorgchem.6b01616
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C51 H38 F36 Gd2 N2 O16 P'
_chemical_formula_sum            'C51 H38 F36 Gd2 N2 O16 P'
_chemical_formula_weight         1964.31
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
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_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 109.6960(10)
_cell_angle_gamma                90
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_cell_length_b                   12.4888(5)
_cell_length_c                   37.9053(17)
_cell_measurement_reflns_used    261
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      23.0648
_cell_measurement_theta_min      3.7654
_cell_volume                     14632.0(11)
_computing_cell_refinement       'APEX3 v2015.5-2 (Bruker AXS)'
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_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.1011
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_diffrn_reflns_Laue_measured_fraction_full 1
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_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            256700
_diffrn_reflns_point_group_measured_fraction_full 1
_diffrn_reflns_point_group_measured_fraction_max 1
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         1.972
_exptl_absorpt_coefficient_mu    1.97
_exptl_absorpt_correction_T_max  0.744
_exptl_absorpt_correction_T_min  0.698
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_exptl_absorpt_process_details   'SADABS V2014/5 (Bruker AXS Inc.)'
_exptl_crystal_colour            colourless
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_exptl_crystal_size_mid          0.156
_exptl_crystal_size_min          0.150
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_refine_ls_extinction_method     none
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_refine_ls_number_parameters     996
_refine_ls_number_reflns         12901
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0566
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_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0288P)^2^+89.8055P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0711
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_reflns_Friedel_coverage         0
_reflns_number_gt                10158
_reflns_number_total             12905
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           mo_gd_dppntempo_0m
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4348781