Modulating the magnetization dynamics in Ln-Cu-Rad hetero-tri-spin complexes through <i>cis</i>/<i>trans</i> coordination of nitronyl nitroxide radicals around the metal center.
Lu, Jiao; Jing, Pei; Jin, Chaoyi; Xie, Junfang; Li, Licun; Dalton transactions (Cambridge, England : 2003) 50 (2021) 3280–3288; doi:10.1039/d1dt00090j

data_7706571
_publ_section_title
;
 Modulating the magnetization dynamics in Ln-Cu-Rad hetero-tri-spin
 complexes through <i>cis</i>/<i>trans</i> coordination of nitronyl
 nitroxide radicals around the metal center.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3280
_journal_page_last               3288
_journal_paper_doi               10.1039/d1dt00090j
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C61 H45 Cu F30 Gd N6 O14'
_chemical_formula_sum            'C61 H45 Cu F30 Gd N6 O14'
_chemical_formula_weight         1876.82
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
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_audit_update_record
;
2021-01-05 deposited with the CCDC.	2021-02-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_volume                     7182.79(15)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
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_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_device_type  'ROD, Synergy Custom DW system, HyPix'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0426
_diffrn_reflns_av_unetI/netI     0.0410
_diffrn_reflns_Laue_measured_fraction_full 0.972
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_diffrn_reflns_limit_h_max       25
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_diffrn_reflns_number            45238
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_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.905
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_exptl_absorpt_coefficient_mu    7.586
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.56012
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.736
_exptl_crystal_description       prism
_exptl_crystal_F_000             3712
_exptl_crystal_size_max          0.5
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_exptl_crystal_size_min          0.2
_refine_diff_density_max         3.184
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_refine_diff_density_rms         0.193
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_restraints     151
_refine_ls_restrained_S_all      0.911
_refine_ls_R_factor_all          0.1171
_refine_ls_R_factor_gt           0.1127
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0600P)^2^+300.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2517
_refine_ls_wR_factor_ref         0.2544
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13167
_reflns_number_total             14231
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt00090j2.cif
_cod_data_source_block           lj-100k
_cod_depositor_comments
'Adding full bibliography for 7706571--7706575.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7706571
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              70541
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