Tetrakis(μ-2-phenoxypropionato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^4^<i>O</i>:<i>O</i>'-bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(2-phenoxypropionato-κ^2^<i>O</i>,<i>O</i>')terbium(III)]
Shen, Jin-Bei; Liu, Jia-Lu; Zhao, Guo-Liang; Acta Crystallographica Section E 67 (2011) m1234–; doi:10.1107/S1600536811032041

data_2231498
_publ_section_title
;
 Tetrakis(\m-2-phenoxypropionato)-\k^3^<i>O</i>,<i>O</i>':<i>O</i>';\k^3^<i>O</i>:<i>O</i>,<i>O</i>';\k^4^<i>O</i>:<i>O</i>'-bis[(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')(2-phenoxypropionato-\k^2^<i>O</i>,<i>O</i>')terbium(III)]
;
_journal_coeditor_code           HB6349
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1234
_journal_paper_doi               10.1107/S1600536811032041
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Tb2 (C9 H9 O3)6 (C12 H8 N2)2]'
_chemical_formula_moiety         'C78 H70 N4 O18 Tb2'
_chemical_formula_sum            'C78 H70 N4 O18 Tb2'
_chemical_formula_weight         1669.24
_chemical_name_systematic
;
Tetrakis(\m-2-phenoxypropionato)-\k^3^<i>O</i>,<i>O</i>':<i>O</i>';
\k^3^<i>O</i>:<i>O</i>,<i>O</i>';\k^4^<i>O</i>:<i>O</i>'-bis[(1,10-
phenanthroline-\k^2^<i>N</i>,<i>N</i>')(2-phenoxypropionato-
\k^2^<i>O</i>,<i>O</i>')terbium(III)]
;
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_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 120.585(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.4747(3)
_cell_length_b                   25.8130(8)
_cell_length_c                   13.8530(3)
_cell_measurement_reflns_used    4163
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.88
_cell_volume                     3532.35(18)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
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_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
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_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_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  0.0510
_diffrn_reflns_av_sigmaI/netI    0.0500
_diffrn_reflns_limit_h_max       12
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_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -24
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_diffrn_reflns_limit_l_min       -16
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_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.569
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1680
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.09
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_refine_diff_density_min         -0.807
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         6213
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_refine_ls_R_factor_all          0.0562
_refine_ls_R_factor_gt           0.0328
_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^)+(0.0302P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0668
_refine_ls_wR_factor_ref         0.0731
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_reflns_number_total             6213
_reflns_threshold_expression     I>2\s(I)
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_cod_data_source_block           I
_cod_original_cell_volume        3532.35(16)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2231498
_cod_database_fobs_code          2231498