An ytterbium(II) complex with dimethyl ester of oxydiacetic acid.
Starynowicz, Przemysław; Dalton transactions (Cambridge, England : 2003)  (2007) 2779–2783; doi:10.1039/b702971c

data_7005550
_publ_section_title
;
 An ytterbium(II) complex with dimethyl ester of oxydiacetic acid.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2779
_journal_page_last               2783
_journal_paper_doi               10.1039/b702971c
_journal_year                    2007
_chemical_formula_sum            'C18 H30 Cl2 O23 Yb'
_chemical_formula_weight         858.36
_space_group_IT_number           165
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     vectmap
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   10.203(3)
_cell_length_b                   10.203(3)
_cell_length_c                   17.908(4)
_cell_measurement_reflns_used    2699
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      37
_cell_measurement_theta_min      4
_cell_volume                     1614.5(8)
_computing_cell_refinement       'CrysAlis RED ver. 1.171'
_computing_data_collection       'CrysAlis CCD ver. 1.171'
_computing_data_reduction        'CrysAlis RED ver. 1.171'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.702
_diffrn_measured_fraction_theta_max 0.703
_diffrn_measurement_device_type  'Kuma KM4 with a CCD counter'
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0661
_diffrn_reflns_av_sigmaI/netI    0.1302
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            9258
_diffrn_reflns_theta_full        37.28
_diffrn_reflns_theta_max         37.28
_diffrn_reflns_theta_min         3.24
_exptl_absorpt_coefficient_mu    3.150
_exptl_absorpt_correction_T_max  0.772
_exptl_absorpt_correction_T_min  0.454
_exptl_absorpt_correction_type   analytical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.766
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             852
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.691
_refine_diff_density_min         -0.405
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.901
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     68
_refine_ls_number_reflns         1975
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.901
_refine_ls_R_factor_all          0.2190
_refine_ls_R_factor_gt           0.0400
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0400P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0776
_refine_ls_wR_factor_ref         0.1010
_reflns_number_gt                759
_reflns_number_total             1975
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b702971c.txt
_cod_data_source_block           ybdigly
_cod_original_cell_volume        1614.6(8)
_cod_original_sg_symbol_H-M      P-3c1
_cod_database_code               7005550