Strong intramolecular DyIII‒DyIII magnetic couplings up to 15.00 cm−1 in phenoxyl-bridged dinuclear 4f complexes
Zhang, Wei; Xu, Shao-Min; Zhu, Zhao-Xia; Ru, Jing; Zhang, Yi-Quan; Yao, Min-Xia; New Journal of Chemistry 44 (2020) 2083–2090; doi:10.1039/C9NJ05971G

data_7059181
_publ_section_title
;
 Strong intramolecular DyIII--DyIII magnetic couplings up to 15.00
 cm&#x2212;1 in phenoxyl-bridged dinuclear 4f complexes
;
_journal_issue                   5
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              2083
_journal_page_last               2090
_journal_paper_doi               10.1039/C9NJ05971G
_journal_volume                  44
_journal_year                    2020
_chemical_formula_sum            'C78 H66 Cl0 Dy2 N4 O16'
_chemical_formula_weight         1640.34
_space_group_crystal_system      monoclinic
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_audit_update_record
;
2019-09-11 deposited with the CCDC.	2019-12-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_volume                     7237.7(10)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      278(2)
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_diffrn_measurement_device_type  'PHOTON100 CMOS detector'
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_diffrn_reflns_point_group_measured_fraction_full 0.982
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_diffrn_reflns_theta_full        25.242
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_exptl_absorpt_coefficient_mu    2.119
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5375
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2013)'
_exptl_crystal_colour            YELLOW
_exptl_crystal_density_diffrn    1.505
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             3288
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_refine_diff_density_max         1.664
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_refine_ls_extinction_method     none
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0385P)^2^+87.6958P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1222
_refine_ls_wR_factor_ref         0.1439
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4112
_reflns_number_total             6511
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9nj05971g2.cif
_cod_data_source_block           1_CCDC1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7059180--7059182.cif.

 Adding full bibliography for 7059180--7059182.cif.
;
_cod_original_cell_volume        7237.6(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7059181
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.665
_shelx_estimated_absorpt_t_max   0.866
_shelx_res_checksum              59299