A series of salen-type asymmetric dinuclear Dy(iii) complexes: site-resolved two-step magnetic relaxation process
Zhang, Wan-Ying; Chen, Peng; Tian, Yong-Mei; Li, Hong-Feng; Sun, Wen-Bin; Yan, Peng-Fei; CrystEngComm 20 (2018) 777–; doi:10.1039/C7CE01797A

data_7229802
_publ_section_title
;
 A series of salen-type asymmetric dinuclear Dy(iii) complexes:
 site-resolved two-step magnetic relaxation process
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              777
_journal_paper_doi               10.1039/C7CE01797A
_journal_volume                  20
_journal_year                    2018
_chemical_formula_sum            'C72 H56 Cl4 Dy2 N4 O9'
_chemical_formula_weight         1588.00
_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
;
2017-10-14 deposited with the CCDC.
2017-12-26 downloaded from the CCDC.
;
_cell_angle_alpha                89.709(5)
_cell_angle_beta                 66.703(6)
_cell_angle_gamma                63.250(7)
_cell_formula_units_Z            2
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_cell_length_b                   15.8905(11)
_cell_length_c                   17.8411(10)
_cell_measurement_temperature    293(2)
_cell_volume                     3304.1(5)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.842
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0380
_diffrn_reflns_av_unetI/netI     0.0869
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.842
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            27801
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.842
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         29.055
_diffrn_reflns_theta_min         2.945
_exptl_absorpt_coefficient_mu    2.466
_exptl_crystal_density_diffrn    1.596
_exptl_crystal_F_000             1576
_refine_diff_density_max         3.560
_refine_diff_density_min         -1.277
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     820
_refine_ls_number_reflns         14877
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0935
_refine_ls_R_factor_gt           0.0550
_refine_ls_shift/su_max          0.050
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0495P)^2^+5.5298P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1231
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7ce01797a2.cif
_cod_data_source_block           1_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7229799--7229802.cif.'
_cod_original_cell_volume        3304.0(5)
_cod_database_code               7229802
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              44852