Tetrakis[μ-2-(3,4-dimethoxyphenyl)acetato]-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^;κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^;κ^4^<i>O</i>^1^:<i>O</i>^1'^-bis{[2-(3,4-dimethoxyphenyl)acetato-κ^2^<i>O</i>^1^,<i>O</i>^1'^](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')erbium(III)}
Liu, Jia-Lu; Li, Hua-Qiong; Zhao, Guo-Liang; Acta Crystallographica Section E 66 (2010) m1411–; doi:10.1107/S1600536810040298

data_2227925
_publ_section_title
;
 Tetrakis[\m-2-(3,4-dimethoxyphenyl)acetato]-\k^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^;\k^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^;\k^4^<i>O</i>^1^:<i>O</i>^1'^-bis{[2-(3,4-dimethoxyphenyl)acetato-\k^2^<i>O</i>^1^,<i>O</i>^1'^](1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')erbium(III)}
;
_journal_coeditor_code           PV2331
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1411
_journal_paper_doi               10.1107/S1600536810040298
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Er2 (C10 H11 O4)6 (C12 H8 N2)2]'
_chemical_formula_moiety         'C84 H82 Er2 N4 O24'
_chemical_formula_sum            'C84 H82 Er2 N4 O24'
_chemical_formula_weight         1866.06
_chemical_name_systematic
;
Tetrakis[\m-2-(3,4-dimethoxyphenyl)acetato]-
\k^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^;
\k^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^;\k^4^<i>O</i>^1^:<i>O</i>^1'^-
bis{[2-(3,4-dimethoxyphenyl)acetato-\k^2^<i>O</i>^1^,<i>O</i>^1'^](1,10-
phenanthroline-\k^2^<i>N</i>,<i>N</i>')erbium(III)}
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           <i>SHELXL97</i>
_cell_angle_alpha                91.2330(10)
_cell_angle_beta                 103.4690(10)
_cell_angle_gamma                114.8760(10)
_cell_formula_units_Z            1
_cell_length_a                   12.31010(10)
_cell_length_b                   12.36460(10)
_cell_length_c                   14.6260(2)
_cell_measurement_reflns_used    9977
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.62
_cell_measurement_theta_min      1.83
_cell_volume                     1946.02(4)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEXII area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.0262
_diffrn_reflns_av_sigmaI/netI    0.0252
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            31446
_diffrn_reflns_theta_full        27.62
_diffrn_reflns_theta_max         27.62
_diffrn_reflns_theta_min         1.83
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.224
_exptl_absorpt_correction_T_max  0.681
_exptl_absorpt_correction_T_min  0.547
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             942
_exptl_crystal_size_max          0.596
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.173
_refine_diff_density_max         0.860
_refine_diff_density_min         -0.463
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     514
_refine_ls_number_reflns         9031
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.0300
_refine_ls_R_factor_gt           0.0230
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0319P)^2^+0.6854P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0547
_refine_ls_wR_factor_ref         0.0594
_reflns_number_gt                7784
_reflns_number_total             9031
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            pv2331.cif
_cod_data_source_block           I
_cod_database_code               2227925
_cod_database_fobs_code          2227925