Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes
Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner; Organometallics 34 (2015) 5734–; doi:10.1021/acs.organomet.5b00837

data_4088075
_publ_section_title
;
 Ln(II)/Pb(II)--Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal
 Half-Sandwich Complexes
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5734
_journal_paper_doi               10.1021/acs.organomet.5b00837
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety         'C26 H48 Eu N Si2'
_chemical_formula_sum            'C26 H48 Eu N Si2'
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_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_atom_sites_solution_hydrogens   geom
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_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
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_cell_length_a                   17.6494(7)
_cell_length_b                   17.6494(7)
_cell_length_c                   47.2477(18)
_cell_measurement_reflns_used    9638
_cell_measurement_temperature    122(2)
_cell_measurement_theta_max      29.57
_cell_measurement_theta_min      2.53
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_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      122(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0410
_diffrn_reflns_av_unetI/netI     0.0207
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
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_diffrn_reflns_limit_l_max       65
_diffrn_reflns_limit_l_min       -65
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_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         29.584
_diffrn_reflns_theta_min         2.179
_diffrn_source                   'Rotating anode'
_exptl_absorpt_coefficient_mu    2.312
_exptl_absorpt_correction_T_max  0.9132
_exptl_absorpt_correction_T_min  0.5287
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   SADABS-2014/3
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.367
_exptl_crystal_description       'hexagonal plate'
_exptl_crystal_F_000             5436
_exptl_crystal_size_max          0.316
_exptl_crystal_size_mid          0.285
_exptl_crystal_size_min          0.040
_refine_diff_density_max         2.861
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_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     287
_refine_ls_number_reflns         7972
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.174
_refine_ls_R_factor_all          0.0381
_refine_ls_R_factor_gt           0.0326
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0349P)^2^+62.7076P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0813
_refine_ls_wR_factor_ref         0.0840
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7206
_reflns_number_total             7972
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om5b00837_si_002.cif
_cod_data_source_block           Compound2
_cod_original_cell_volume        12745.9(11)
_cod_database_code               4088075
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.529
_shelx_estimated_absorpt_t_max   0.913
_shelx_res_checksum              3309
_shelx_hkl_checksum              78791