Synthesis, structure and oxidation of new ytterbium(II) bis(phenolate) compounds and their catalytic activity towards epsilon-caprolactone.
Delbridge, Ewan E.; Dugah, Divine T.; Nelson, Chassidy R.; Skelton, Brian W.; White, Allan H.; Dalton transactions (Cambridge, England : 2003)  (2007) 143–153; doi:10.1039/b613409b

data_7004904
_publ_section_title
;
 Synthesis, structure and oxidation of new ytterbium(II) bis(phenolate)
 compounds and their catalytic activity towards epsilon-caprolactone.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              143
_journal_page_last               153
_journal_paper_doi               10.1039/b613409b
_journal_year                    2007
_chemical_formula_moiety         ' C68 H108 N4 O4 Yb2, C6 H14)'
_chemical_formula_sum            'C74 H122 N4 O4 Yb2'
_chemical_formula_weight         1478.08
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 91.352(5)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   14.049(5)
_cell_length_b                   9.693(5)
_cell_length_c                   26.772(8)
_cell_measurement_reflns_used    7785
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.9
_cell_measurement_theta_min      2.33
_cell_volume                     3645(3)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'Siemens SAINT'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.0
_diffrn_measured_fraction_theta_max 1.0
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .063
_diffrn_reflns_av_sigmaI/netI    .087
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            34303
_diffrn_reflns_theta_full        29.
_diffrn_reflns_theta_max         29.
_diffrn_reflns_theta_min         1.45
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.597
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  .85
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.347
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1532
_exptl_crystal_size_max          .09
_exptl_crystal_size_mid          .09
_exptl_crystal_size_min          .06
_refine_diff_density_max         3.257
_refine_diff_density_min         -1.551
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.217
_refine_ls_goodness_of_fit_ref   1.217
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     366
_refine_ls_number_reflns         9089
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          .088
_refine_ls_R_factor_gt           .063
_refine_ls_shift/su_max          .045
_refine_ls_shift/su_mean         .001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .167
_refine_ls_wR_factor_ref         .129
_reflns_d_resolution_high        .728
_reflns_d_resolution_low         14.006
_reflns_Friedel_coverage         0
_reflns_limit_h_max              19
_reflns_limit_h_min              0
_reflns_limit_k_max              13
_reflns_limit_k_min              0
_reflns_limit_l_max              36
_reflns_limit_l_min              -35
_reflns_number_gt                9093
_reflns_number_total             9093
_reflns_threshold_expression     'I > 2.00 sig(I)'
_cod_data_source_file            b613409b.txt
_cod_data_source_block           edyb2
_cod_original_sg_symbol_Hall     -p_2yc
_cod_original_sg_symbol_H-M      P_1_2/c_1
_cod_database_code               7004904