Regulating the distortion degree of the square antiprism coordination geometry in Dy–Na single ion magnets
Wang, Hui-Sheng; Zhang, Ke; Wang, Jia; Hu, Zhaobo; Song, You; Zhang, Zaichao; Pan, Zhi-Quan; CrystEngComm 23 (2021) 3175–3184; doi:10.1039/D1CE00146A

data_7242497
_publ_section_title
;
 Regulating the distortion degree of the square antiprism coordination
 geometry in Dy--Na single ion magnets
;
_journal_issue                   17
_journal_name_full               CrystEngComm
_journal_page_first              3175
_journal_page_last               3184
_journal_paper_doi               10.1039/D1CE00146A
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C46 H44 Dy N4 Na O10'
_chemical_formula_weight         998.34
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2020-12-31 deposited with the CCDC.	2021-03-22 downloaded from the CCDC.
;
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_cell_measurement_temperature    173(2)
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_cell_measurement_theta_min      2.74
_cell_volume                     4269.74(19)
_computing_cell_refinement       'Bruker SMART'
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_diffrn_ambient_temperature      173(2)
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_diffrn_measured_fraction_theta_max 0.997
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_diffrn_measurement_method       'omega scan'
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_diffrn_reflns_av_unetI/netI     0.0518
_diffrn_reflns_Laue_measured_fraction_full 0.997
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_exptl_absorpt_coefficient_mu    1.825
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5682
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            yellow
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_exptl_crystal_description       plate
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_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0964
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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^)+(0.0064P)^2^+30.1115P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0881
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_reflns_Friedel_coverage         0.000
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_reflns_number_total             7474
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ce00146a2.cif
_cod_data_source_block           complex_1
_cod_depositor_comments
'Adding full bibliography for 7242497--7242498.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7242497
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