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_7048812
_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 Gd O12 P2, 3(Cl) [+ solvent]'
_chemical_formula_sum            'C38 H54 Cl3 Gd O12 P2'
_chemical_formula_weight         1028.35
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   30.875(3)
_cell_length_b                   20.3031(17)
_cell_length_c                   7.5804(6)
_cell_measurement_reflns_used    9996
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.453
_cell_measurement_theta_min      2.224
_cell_volume                     4751.8(7)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_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  0.0563
_diffrn_reflns_av_unetI/netI     0.0301
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            29802
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         2.219
_exptl_absorpt_coefficient_mu    1.685
_exptl_absorpt_correction_T_max  0.850
_exptl_absorpt_correction_T_min  0.600
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.437
_exptl_crystal_description       rod-like
_exptl_crystal_F_000             2092
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.629
_refine_diff_density_min         -2.473
_refine_diff_density_rms         0.176
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     294
_refine_ls_number_reflns         4680
_refine_ls_number_restraints     129
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.1012
_refine_ls_R_factor_gt           0.0969
_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^)+(0.0041P)^2^+261.6310P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2212
_refine_ls_wR_factor_ref         0.2233
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4339
_reflns_number_total             4680
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt00073a2.cif
_cod_data_source_block           Gd
_cod_depositor_comments
'Adding full bibliography for 7048811--7048813.cif.'
_cod_database_code               7048812
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.615
_shelx_estimated_absorpt_t_max   0.850
_platon_squeeze_void_probe_radius 1.20
_shelx_res_checksum              34350
_shelx_fab_checksum              12513