An eight-coordinate ytterbium complex with a hexagonal bipyramid geometry exhibiting field-induced single-ion magnet behaviour.
Zhao, Wen; Cui, Huihui; Chen, Xiao-Yun; Yi, Gangji; Chen, Lei; Yuan, Aihua; Luo, Cheng-Lin; Dalton transactions (Cambridge, England : 2003) 48 (2019) 5621–5626; doi:10.1039/c9dt00663j

data_7049540
_publ_section_title
;
 An eight-coordinate ytterbium complex with a hexagonal bipyramid geometry
 exhibiting field-induced single-ion magnet behaviour.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5621
_journal_page_last               5626
_journal_paper_doi               10.1039/c9dt00663j
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C24 H54 N3 O11 P2 Yb'
_chemical_formula_weight         795.68
_space_group_crystal_system      hexagonal
_space_group_IT_number           194
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-03-10 deposited with the CCDC.    2019-03-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
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_cell_measurement_theta_max      24.79
_cell_measurement_theta_min      2.72
_cell_volume                     2500.2(4)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0617
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_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       16
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_diffrn_reflns_limit_l_max       18
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_max         25.996
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_exptl_absorpt_coefficient_mu    1.972
_exptl_absorpt_correction_T_max  0.6282
_exptl_absorpt_correction_T_min  0.5711
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.057
_exptl_crystal_description       block
_exptl_crystal_F_000             814
_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.300
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_refine_ls_extinction_method     none
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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^)+(0.1507P)^2^+4.7662P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2339
_refine_ls_wR_factor_ref         0.2410
_reflns_Friedel_coverage         0.000
_reflns_number_gt                818
_reflns_number_total             966
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt00663j2.cif
_cod_data_source_block           1-Yb
_cod_depositor_comments
'Adding full bibliography for 7049540--7049541.cif.'
_cod_database_code               7049540
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.537
_shelx_estimated_absorpt_t_max   0.589
_shelx_res_checksum              90680
_shelx_fab_checksum              71553