Monomeric metal alkoxides and trialkyl siloxides: (BDI)Mg(OtBu)(THF ) and (BDI)Zn(OSiPh3)(THF ). Comments on single site catalysts for ring-opening polymerization of lactides †
Chisholm, Malcolm H.; Huffman, John C.; Phomphrai, Khamphee; Journal of the Chemical Society, Dalton Transactions  (2001) 222–; doi:10.1039/b008158m

data_7010349
_publ_section_title
;
 Monomeric metal alkoxides and trialkyl siloxides:
 (BDI)Mg(OtBu)(THF&#x200A;) and (BDI)Zn(OSiPh3)(THF&#x200A;). Comments
 on single site catalysts for ring-opening polymerization of
 lactides&#x200A;&#x2020;
;
_journal_issue                   3
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              222
_journal_paper_doi               10.1039/b008158m
_journal_year                    2001
_chemical_formula_sum            'C37 H58 Mg N2 O2'
_chemical_formula_weight         587.185
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_method
'minor manual editing of SDT2CIF v. 1.2 BETA  output'
_cell_angle_alpha                90
_cell_angle_beta                 109.3453
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.7999(3)
_cell_length_b                   16.6069(5)
_cell_length_c                   11.5815(3)
_cell_measurement_reflns_used    5583
_cell_measurement_temperature    112(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      2.20
_cell_volume                     1778.42(9)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 1999), XTEL (local package)'
_computing_molecular_graphics    'XTEL, local package'
_computing_publication_material  'XTEL, local package'
_computing_structure_refinement  'XTEL, local package'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      112(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 44.52
_diffrn_detector_type            'Bruker SMART 6000'
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_details
'   0.30 degree frames measured for   5.15 seconds each'
_diffrn_measurement_device       'three-circle goniometer with fixed chi'
_diffrn_measurement_device_type  'Bruker Platform goniometer'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.05
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            27240
_diffrn_reflns_theta_full        27.5319
_diffrn_reflns_theta_max         27.5319
_diffrn_reflns_theta_min         2.20254
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_time  208
_diffrn_standards_number         5584
_exptl_absorpt_coefficient_mu    0.0822
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.864855
_exptl_absorpt_correction_type   semi-empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.097
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             644
_exptl_crystal_size_max          .4
_exptl_crystal_size_mid          .4
_exptl_crystal_size_min          .15
_refine_diff_density_max         0.19
_refine_diff_density_min         -0.18
_refine_ls_abs_structure_details none
_refine_ls_extinction_coef       0.00000043(13)
_refine_ls_extinction_expression
;                                                                               
Larson, A. C. (1967).  Acta Cryst. 23, p. 664.  Eq. (3)                         
;
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_ref   0.6332
_refine_ls_matrix_type           full
_refine_ls_number_parameters     579
_refine_ls_number_reflns         5047
_refine_ls_R_factor_gt           0.0327
_refine_ls_shift/su_max          0.0474
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w^-1^=\s^2^(F)+(.07F)^2^
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0327
_reflns_number_gt                5047
_reflns_number_total             8177
_reflns_threshold_expression     'Fo^2^> 2.33\s(Fo^2^)'
_cod_data_source_file            b008158m.txt
_cod_data_source_block           MSC00049
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C37 H58 Mg1 N2 O2'
_cod_database_code               7010349