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_7004905
_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         'C74 H122 K1 N2 O10 Yb1'
_chemical_formula_sum            'C74 H122 K N2 O10 Yb'
_chemical_formula_weight         1411.93
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                99.4510(10)
_cell_angle_beta                 95.457(2)
_cell_angle_gamma                119.4920(10)
_cell_formula_units_Z            2
_cell_length_a                   14.0570(10)
_cell_length_b                   14.1370(10)
_cell_length_c                   23.703(2)
_cell_measurement_reflns_used    5640
_cell_measurement_temperature    298
_cell_measurement_theta_max      27.94
_cell_measurement_theta_min      2.67
_cell_volume                     3958.5(5)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        xtal
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  xtal
_computing_structure_solution    xtal
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_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  .026
_diffrn_reflns_av_sigmaI/netI    .048
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            36801
_diffrn_reflns_theta_full        29.22
_diffrn_reflns_theta_max         29.22
_diffrn_reflns_theta_min         1.67
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.285
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  .77
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.185
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1498
_exptl_crystal_size_max          .35
_exptl_crystal_size_mid          .35
_exptl_crystal_size_min          .25
_refine_diff_density_max         1.777
_refine_diff_density_min         -1.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.135
_refine_ls_goodness_of_fit_ref   1.135
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     790
_refine_ls_number_reflns         19227
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          .054
_refine_ls_R_factor_gt           .043
_refine_ls_shift/su_max          .028
_refine_ls_shift/su_mean         .001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
w=1/(sig^2(F) + 14F^2)
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .114
_refine_ls_wR_factor_gt          .084
_reflns_d_resolution_high        .728
_reflns_d_resolution_low         12.137
_reflns_limit_h_max              19
_reflns_limit_h_min              0
_reflns_limit_k_max              16
_reflns_limit_k_min              -18
_reflns_limit_l_max              32
_reflns_limit_l_min              -32
_reflns_number_gt                16330
_reflns_number_total             19277
_reflns_threshold_expression     'I > 2.00 sig(I )'
_cod_data_source_file            b613409b.txt
_cod_data_source_block           edybrt
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      P_-1
_cod_original_formula_sum        'C74 H122 K1 N2 O10 Yb1'
_cod_database_code               7004905