Synthesis and characterization of bridged bis(amidato) rare earth metal amides and their applications in C-N bond formation reactions.
Zhao, Bei; Xiao, Yang; Yuan, Dan; Lu, Chengrong; Yao, Yingming; Dalton transactions (Cambridge, England : 2003) 45 (2016) 3880–3887; doi:10.1039/c5dt04217h

data_7038059
_publ_section_title
;
 Synthesis and characterization of bridged bis(amidato) rare earth metal
 amides and their applications in C-N bond formation reactions.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3880
_journal_page_last               3887
_journal_paper_doi               10.1039/c5dt04217h
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         '4(C62 H102 La2 N8 O4 Si4), 2(C7 H8)'
_chemical_formula_sum            'C262 H424 La8 N32 O16 Si16'
_chemical_formula_weight         5839.03
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-06-17 deposited with the CCDC.
2016-01-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.8693(19)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   16.7031(3)
_cell_length_b                   17.8338(3)
_cell_length_c                   27.9186(6)
_cell_measurement_temperature    223(2)
_cell_volume                     8037.9(3)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0417
_diffrn_reflns_av_unetI/netI     0.0456
_diffrn_reflns_laue_measured_fraction_full 0.998
_diffrn_reflns_laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            58323
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         3.020
_exptl_absorpt_coefficient_mu    1.152
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.206
_exptl_crystal_description       block
_exptl_crystal_F_000             3028
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.458
_refine_diff_density_min         -1.450
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     771
_refine_ls_number_reflns         16402
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0746
_refine_ls_R_factor_gt           0.0501
_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^)+(0.0542P)^2^+17.2521P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1190
_refine_ls_wR_factor_ref         0.1349
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12380
_reflns_number_total             16402
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt04217h2.cif
_cod_data_source_block           g140725c
_cod_depositor_comments
'Adding full bibliography for 7038055--7038059.cif.'
_cod_database_code               7038059
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.597
_shelx_estimated_absorpt_t_max   0.802
_shelx_res_checksum              25054