Dysprosium-based complexes with a flat pentadentate donor: a magnetic and ab initio study.
Fondo, Matilde; Corredoira-Vázquez, Julio; García-Deibe, Ana M; Gómez-Coca, Silvia; Ruiz, Eliseo; Sanmartín-Matalobos, Jesús; Dalton transactions (Cambridge, England : 2003) 49 (2020) 8389–8401; doi:10.1039/d0dt01293a

data_7704613
_publ_section_title
;
 Dysprosium-based complexes with a flat pentadentate donor: a magnetic and
 ab initio study.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8389
_journal_page_last               8401
_journal_paper_doi               10.1039/d0dt01293a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C28 H26 Dy N4 O6, C19 H13 Cl2 Dy N3 O2'
_chemical_formula_sum            'C47 H39 Cl2 Dy2 N7 O8'
_chemical_formula_weight         1225.75
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
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_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2020-06-03 deposited with the CCDC.	2020-06-05 downloaded from the CCDC.
;
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_cell_measurement_theta_min      3.1
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_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON III-14'
_diffrn_measurement_method       'omega and phi'
_diffrn_radiation_type           MoK\a
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_diffrn_source                   'microfocus sealed tube'
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_refine_ls_R_factor_all          0.1120
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1074P)^2^+43.6418P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1930
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                4622
_reflns_number_total             6438
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7704612--7704615.cif.'
_cod_original_cell_volume        4439.2(16)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7704613
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_shelx_estimated_absorpt_t_min   0.620
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_exptl_absorpt_special_details
;
4 twin components present. Reflections merged according to point-group 2/m   
 Single reflections that also occur in composites omitted
;
_shelx_res_checksum              15771