Lanthanide anthracene complexes: slow magnetic relaxation and luminescence in Dy<sup>III</sup>, Er<sup>III</sup> and Yb<sup>III</sup> based materials.
Zou, Qian; Huang, Xin-Da; Liu, Jing-Cui; Bao, Song-Song; Zheng, Li-Min; Dalton transactions (Cambridge, England : 2003) 48 (2019) 2735–2740; doi:10.1039/c9dt00073a

data_7048813
_publ_section_title
;
 Lanthanide anthracene complexes: slow magnetic relaxation and
 luminescence in Dy<sup>III</sup>, Er<sup>III</sup> and Yb<sup>III</sup>
 based materials.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2735
_journal_page_last               2740
_journal_paper_doi               10.1039/c9dt00073a
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety
'C38 H54 Er O12 P2, 3(Cl), (H2 O) [+ solvent]'
_chemical_formula_sum            'C38 H56 Cl3 Er O13 P2'
_chemical_formula_weight         1056.37
_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_Hall           '-P 2n 2ab'
_space_group_name_H-M_alt        'P b c n'
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-01-23 deposited with the CCDC.
2019-01-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_formula_units_Z            4
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_cell_length_b                   20.3442(14)
_cell_length_c                   7.5758(5)
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_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.216
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_cell_volume                     4735.0(5)
_computing_cell_refinement       SMART
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_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0458
_diffrn_reflns_av_unetI/netI     0.0276
_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            31578
_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.997
_diffrn_reflns_theta_min         2.226
_exptl_absorpt_coefficient_mu    2.065
_exptl_absorpt_correction_T_max  0.747
_exptl_absorpt_correction_T_min  0.500
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2000)'
_exptl_crystal_colour            'light pink'
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_description       rod-like
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_restraints     90
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.0716
_refine_ls_R_factor_gt           0.0622
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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^)+(0.0231P)^2^+95.1373P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1351
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4061
_reflns_number_total             4662
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt00073a2.cif
_cod_data_source_block           Er
_cod_depositor_comments
'Adding full bibliography for 7048811--7048813.cif.'
_cod_database_code               7048813
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_shelx_estimated_absorpt_t_min   0.492
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_shelx_res_checksum              26550
_shelx_fab_checksum              70037