Modulation of the directions of the anisotropic axes of DyIII ions through utilizing two kinds of organic ligands or replacing DyIII ions by FeIII ions
Wang, Hui-Sheng; Chen, Yong; Hu, Zhao-Bo; Yin, Cheng-Ling; Zhang, Zaichao; Pan, Zhi-Quan; CrystEngComm 21 (2019) 5429–; doi:10.1039/C9CE00894B

data_7233338
_publ_section_title
;
 Modulation of the directions of the anisotropic axes of DyIII ions
 through utilizing two kinds of organic ligands or replacing DyIII ions by
 FeIII ions
;
_journal_issue                   36
_journal_name_full               CrystEngComm
_journal_page_first              5429
_journal_paper_doi               10.1039/C9CE00894B
_journal_volume                  21
_journal_year                    2019
_chemical_formula_moiety
'C67 H68 Cl3 Dy2 Fe4 N10 O18,Cl,6(C2 H3 N),3.5H2O'
_chemical_formula_sum            'C79 H93 Cl4 Dy2 Fe4 N16 O21.5'
_chemical_formula_weight         2300.89
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-05-31 deposited with the CCDC.    2019-08-05 downloaded from the CCDC.
;
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_cell_measurement_temperature    173(2)
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_computing_cell_refinement       'Bruker SMART'
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_diffrn_ambient_temperature      173(2)
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_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
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_exptl_crystal_colour            yellow
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0027P)^2^+650.7820P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                10760
_reflns_number_total             15649
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9ce00894b2.cif
_cod_data_source_block           complex_2
_cod_depositor_comments
'Adding full bibliography for 7233337--7233338.cif.'
_cod_original_cell_volume        18005.6(15)
_cod_original_formula_sum        'C79 H93 Cl4 Dy2 Fe4 N16 O21.50'
_cod_database_code               7233338
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              73629
_shelx_fab_checksum              79064