Ytterbium amides of linked bis(amidinate): synthesis, molecular structures, and reactivity for the polymerization of l-lactide
Wang, Junfeng; Cai, Tao; Yao, Yingming; Zhang, Yong; Shen, Qi; Dalton Transactions  (2007) 5275–; doi:10.1039/b709310a

data_7006144
_publ_section_title
;
 Ytterbium amides of linked bis(amidinate): synthesis, molecular
 structures, and reactivity for the polymerization of l-lactide
;
_journal_issue                   45
_journal_name_full               'Dalton Transactions'
_journal_page_first              5275
_journal_paper_doi               10.1039/b709310a
_journal_year                    2007
_chemical_formula_moiety
'(C58 H104 N10 Si8 Yb2), 0.25C6 H14, 0.5(C4 H10 O), 0.25(C4 H10 O)'
_chemical_formula_sum            'C62.5 H115 N10 O0.75 Si8 Yb2'
_chemical_formula_weight         1589.36
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                80.666(8)
_cell_angle_beta                 72.924(8)
_cell_angle_gamma                66.204(7)
_cell_formula_units_Z            4
_cell_length_a                   17.806(2)
_cell_length_b                   18.419(3)
_cell_length_c                   29.290(5)
_cell_measurement_temperature    193(2)
_cell_volume                     8392(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0888
_diffrn_reflns_av_sigmaI/netI    0.1776
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            58140
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    2.368
_exptl_absorpt_correction_T_max  0.7328
_exptl_absorpt_correction_T_min  0.6003
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.249
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3228
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.683
_refine_diff_density_min         -1.167
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1465
_refine_ls_number_reflns         30041
_refine_ls_number_restraints     167
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.1868
_refine_ls_R_factor_gt           0.1024
_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^)+(0.0600P)^2^+20.6054P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1763
_refine_ls_wR_factor_ref         0.2198
_reflns_number_gt                16377
_reflns_number_total             30041
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b709310a.txt
_cod_data_source_block           shelxl
_cod_original_formula_sum        'C62.50 H115 N10 O0.75 Si8 Yb2'
_cod_database_code               7006144