Phenoxytriamine complexes of yttrium: synthesis, structure and use in the polymerization of lactide and epsilon-caprolactone.
Westmoreland, Ian; Arnold, John; Dalton transactions (Cambridge, England : 2003)  (2006) 4155–4163; doi:10.1039/b600939e

data_7007175
_publ_section_title
;
 Phenoxytriamine complexes of yttrium: synthesis, structure and use in
 the polymerization of lactide and epsilon-caprolactone.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4155
_journal_page_last               4163
_journal_paper_doi               10.1039/b600939e
_journal_year                    2006
_chemical_formula_moiety         'C35 H78 N5 O Si4 Y '
_chemical_formula_sum            'C35 H78 N5 O Si4 Y'
_chemical_formula_weight         786.28
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_date             'Mon Aug 29 16:26:23 2005'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 101.087(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.023(1)
_cell_length_b                   18.636(2)
_cell_length_c                   12.370(1)
_cell_measurement_reflns_used    2568
_cell_measurement_temperature    113.2
_cell_measurement_theta_max      22.3
_cell_measurement_theta_min      3.2
_cell_volume                     2267.5(4)
_computing_cell_refinement       'Bruker-AXS SAINT v6.40'
_computing_data_collection       'Bruker-AXS SMART v5.054'
_computing_data_reduction        'Bruker-AXS SAINT v6.40'
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR97
_diffrn_measured_fraction_theta_full 1.0155
_diffrn_measured_fraction_theta_max 1.0155
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10290
_diffrn_reflns_theta_full        24.74
_diffrn_reflns_theta_max         24.74
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.424
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.152
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             852.00
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.50
_refine_diff_density_min         -0.46
_refine_ls_abs_structure_details 'Flack A D (1983), Acta Cryst A39 876-881'
_refine_ls_abs_structure_Flack   -0.0173(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.686
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     420
_refine_ls_number_reflns         4718
_refine_ls_R_factor_all          0.0624
_refine_ls_R_factor_gt           0.0347
_refine_ls_shift/su_max          0.0232
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0513
_refine_ls_wR_factor_ref         0.0400
_reflns_number_gt                4718
_reflns_number_total             4070
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            b600939e.txt
_cod_data_source_block           iw1092y
_cod_original_cell_volume        2267.4(4)
_cod_original_sg_symbol_H-M      'P 21 '
_cod_original_formula_sum        'C35 H78 N5 O Si4 Y '
_cod_database_code               7007175