Doubly TEMPO-coordinated gadolinium(iii), lanthanum(iii), and yttrium(iii) complexes. Strong superexchange coupling across rare earth ions.
Murakami, Rina; Nakamura, Takeshi; Ishida, Takayuki; Dalton transactions (Cambridge, England : 2003) 43 (2014) 5893–5898; doi:10.1039/c3dt53586j

data_7029387
_publ_section_title
;
 Doubly TEMPO-coordinated gadolinium(iii), lanthanum(iii), and
 yttrium(iii) complexes. Strong superexchange coupling across rare earth
 ions.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5893
_journal_page_last               5898
_journal_paper_doi               10.1039/c3dt53586j
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C33 H39 F18 La N2 O8'
_chemical_formula_sum            'C33 H39 F18 La N2 O8'
_chemical_formula_weight         1072.56
_chemical_melting_point          439
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                74.842(9)
_cell_angle_beta                 78.118(9)
_cell_angle_gamma                66.457(9)
_cell_formula_units_Z            2
_cell_length_a                   9.3813(17)
_cell_length_b                   11.977(3)
_cell_length_c                   21.854(5)
_cell_measurement_reflns_used    25285
_cell_measurement_temperature    100
_cell_measurement_theta_max      28.32
_cell_measurement_theta_min      3.15
_cell_volume                     2158.5(8)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        PROCESS-AUTO
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'CRYSTALS (Carruthers, et al., 1999)'
_computing_structure_solution    'SIR2004 (Burla, et al., 2005)'
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 29.412
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0657
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            31536
_diffrn_reflns_theta_full        27.29
_diffrn_reflns_theta_max         27.29
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.110
_exptl_absorpt_correction_T_max  0.801
_exptl_absorpt_correction_T_min  0.645
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1068.00
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         4.090
_refine_diff_density_min         -1.410
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     604
_refine_ls_number_reflns         9557
_refine_ls_R_factor_gt           0.0662
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0012Fo^2^ + 2.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0742
_reflns_number_gt                7833
_reflns_number_total             9557
_reflns_threshold_expression     F>2.0\s(F)
_cod_data_source_file            c3dt53586j1.cif
_cod_data_source_block           '[La(hfac)3(TEMPO)2]'
_cod_database_code               7029387