Synthesis, crystal structures and magnetic properties of a series of chair-like heterometallic [Fe<sub>4</sub>Ln<sub>2</sub>] (Ln = Gd<sup>III</sup>, Dy<sup>III</sup>, Ho<sup>III</sup>, and Er<sup>III</sup>) complexes with mixed organic ligands.
Wang, Hui-Sheng; Long, Qiao-Qiao; Hu, Zhao-Bo; Yue, Lin; Yang, Feng-Jun; Yin, Cheng-Ling; Pan, Zhi-Quan; Zhang, Yi-Quan; Song, You; Dalton transactions (Cambridge, England : 2003) 48 (2019) 13472–13482; doi:10.1039/c9dt02638j

data_7700832
_publ_section_title
;
 Synthesis, crystal structures and magnetic properties of a series of
 chair-like heterometallic [Fe<sub>4</sub>Ln<sub>2</sub>] (Ln =
 Gd<sup>III</sup>, Dy<sup>III</sup>, Ho<sup>III</sup>, and
 Er<sup>III</sup>) complexes with mixed organic ligands.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13472
_journal_page_last               13482
_journal_paper_doi               10.1039/c9dt02638j
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C58 H54 Cl4 Fe4 Ho2 N12 O22'
_chemical_formula_weight         1966.19
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-06-19 deposited with the CCDC.    2019-08-14 downloaded from the CCDC.
;
_cell_angle_alpha                81.4060(10)
_cell_angle_beta                 83.0750(10)
_cell_angle_gamma                66.2000(10)
_cell_formula_units_Z            2
_cell_length_a                   13.8523(5)
_cell_length_b                   15.6979(6)
_cell_length_c                   20.7364(9)
_cell_measurement_reflns_used    9838
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.40
_cell_measurement_theta_min      2.80
_cell_volume                     4070.3(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_av_unetI/netI     0.0311
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            47139
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.744
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.817
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6137
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.604
_exptl_crystal_description       block
_exptl_crystal_F_000             1936
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.707
_refine_diff_density_min         -1.312
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     919
_refine_ls_number_reflns         14300
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0434
_refine_ls_R_factor_gt           0.0295
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0308P)^2^+8.1008P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0670
_refine_ls_wR_factor_ref         0.0715
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11736
_reflns_number_total             14300
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt02638j2.cif
_cod_data_source_block           complex_3
_cod_depositor_comments
'Adding full bibliography for 7700832--7700835.cif.'
_cod_database_code               7700832
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              34583
_shelx_fab_checksum              61480