{Bis[<i>N</i>,<i>N</i>'-dicyclohexyl-<i>N</i>'',<i>N</i>''-bis(trimethylsilyl)guanidinato-κ^2^<i>N</i>,<i>N</i>']neodymium(III)}di-μ-chlorido-[bis(tetrahydrofuran-κ<i>O</i>)lithium]
Chi, Shu-Hui; Chen, Jue; Acta Crystallographica Section E 69 (2013) m121–; doi:10.1107/S160053681300158X

data_2237416
_publ_section_title
;
 {Bis[<i>N</i>,<i>N</i>'-dicyclohexyl-<i>N</i>'',<i>N</i>''-bis(trimethylsilyl)guanidinato-\k^2^<i>N</i>,<i>N</i>']neodymium(III)}di-\m-chlorido-[bis(tetrahydrofuran-\k<i>O</i>)lithium]
;
_journal_coeditor_code           VN2064
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m121
_journal_paper_doi               10.1107/S160053681300158X
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Li Nd (C19 H40 N3 Si2)2 Cl2 (C4 H8 O)2]'
_chemical_formula_moiety         'C46 H96 Cl2 Li N6 Nd O2 Si4'
_chemical_formula_sum            'C46 H96 Cl2 Li N6 Nd O2 Si4'
_chemical_formula_weight         1099.73
_chemical_name_systematic
{Bis[<i>N</i>,<i>N</i>'-dicyclohexyl-<i>N</i>'',<i>N</i>''-bis(trimethylsilyl)guanidinato-\k^2^<i>N</i>,<i>N</i>']neodymium(III)}di-\m-chlorido-[bis(tetrahydrofuran-\k<i>O</i>)lithium]
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.215(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.1739(16)
_cell_length_b                   13.5238(8)
_cell_length_c                   18.8108(13)
_cell_measurement_reflns_used    22051
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     5986.8(7)
_computing_cell_refinement       'CrystalClear (Rigaku, 2000)'
_computing_data_collection       'CrystalClear (Rigaku, 2000)'
_computing_data_reduction        'CrystalStructure (Rigaku, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0510
_diffrn_reflns_av_sigmaI/netI    0.0846
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            35442
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    1.074
_exptl_absorpt_correction_T_max  0.752
_exptl_absorpt_correction_T_min  0.464
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>REQAB</i>; Jacobson, 1998)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.220
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2332
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.736
_refine_diff_density_min         -1.213
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.169
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     554
_refine_ls_number_reflns         11104
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.203
_refine_ls_R_factor_all          0.0600
_refine_ls_R_factor_gt           0.0505
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0336P)^2^+2.4460P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1047
_refine_ls_wR_factor_ref         0.1106
_reflns_number_gt                9767
_reflns_number_total             11104
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            vn2064.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2237416
_cod_database_fobs_code          2237416