Europium and ytterbium complexes with o-iminoquinonato ligands: synthesis, structure, and magnetic behavior.
Klementyeva, Svetlana V.; Lukoyanov, Anton N.; Afonin, Mikhail Yu; Mörtel, Max; Smolentsev, Anton I.; Abramov, Pavel A.; Starikova, Alyona A.; Khusniyarov, Marat M.; Konchenko, Sergey N.; Dalton transactions (Cambridge, England : 2003) 48 (2019) 3338–3348; doi:10.1039/c8dt04849e

data_7048958
_publ_section_title
;
 Europium and ytterbium complexes with o-iminoquinonato ligands:
 synthesis, structure, and magnetic behavior.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3338
_journal_page_last               3348
_journal_paper_doi               10.1039/c8dt04849e
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C104 H148 N4 O4 Yb2, C7 H8'
_chemical_formula_sum            'C111 H156 N4 O4 Yb2'
_chemical_formula_weight         1956.47
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 114.589(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   26.4227(16)
_cell_length_b                   13.2020(6)
_cell_length_c                   31.9679(16)
_cell_measurement_reflns_used    9950
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.54
_cell_measurement_theta_min      2.34
_cell_volume                     10140.2(10)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 25
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Nonius X8Apex CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0417
_diffrn_reflns_av_unetI/netI     0.0570
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            64240
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.250
_diffrn_reflns_theta_max         27.640
_diffrn_reflns_theta_min         1.691
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.885
_exptl_absorpt_correction_T_max  0.829
_exptl_absorpt_correction_T_min  0.688
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.282
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4088
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.100
_refine_diff_density_max         2.307
_refine_diff_density_min         -1.003
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1131
_refine_ls_number_reflns         23529
_refine_ls_number_restraints     65
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0601
_refine_ls_R_factor_gt           0.0382
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0430P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0852
_refine_ls_wR_factor_ref         0.0908
_reflns_Friedel_coverage         0.000
_reflns_number_gt                18138
_reflns_number_total             23529
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt04849e1.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7048956--7048958.cif.'
_cod_database_code               7048958
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.682
_shelx_estimated_absorpt_t_max   0.834
_shelx_res_checksum              65847
_shelx_hkl_checksum              11298