Bis(μ-2-phenoxypropionato-κ^2^<i>O</i>:<i>O</i>')bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(2-phenoxypropionato-κ^2^<i>O</i>,<i>O</i>')samarium(III)]
Shen, Jin-Bei; Liu, Jia-Lu; Zhao, Guo-Liang; Acta Crystallographica Section E 67 (2011) m1319–; doi:10.1107/S1600536811034829

data_2231640
_publ_section_title
;
 Bis(\m-2-phenoxypropionato-\k^2^<i>O</i>:<i>O</i>')bis[(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')bis(2-phenoxypropionato-\k^2^<i>O</i>,<i>O</i>')samarium(III)]
;
_journal_coeditor_code           NG5218
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1319
_journal_paper_doi               10.1107/S1600536811034829
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Sm2 (C9 H9 O3)6 (C12 H8 N2)2]'
_chemical_formula_moiety         'C78 H70 N4 O18 Sm2'
_chemical_formula_sum            'C78 H70 N4 O18 Sm2'
_chemical_formula_weight         1652.08
_chemical_name_systematic
;
Bis(\m-2-phenoxypropionato-\k^2^<i>O</i>:<i>O</i>')bis[(1,10-phenanthroline-
\k^2^<i>N</i>,<i>N</i>')bis(2-phenoxypropionato-
\k^2^<i>O</i>,<i>O</i>')samarium(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           SHELXL-97
_cell_angle_alpha                99.111(3)
_cell_angle_beta                 91.116(3)
_cell_angle_gamma                114.381(3)
_cell_formula_units_Z            1
_cell_length_a                   11.3589(6)
_cell_length_b                   12.2144(6)
_cell_length_c                   14.1282(8)
_cell_measurement_reflns_used    9923
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.86
_cell_volume                     1754.98(17)
_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 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0275
_diffrn_reflns_av_sigmaI/netI    0.0279
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            23059
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.86
_exptl_absorpt_coefficient_mu    1.732
_exptl_absorpt_correction_T_max  0.919
_exptl_absorpt_correction_T_min  0.556
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             834
_exptl_crystal_size_max          0.398
_exptl_crystal_size_mid          0.287
_exptl_crystal_size_min          0.049
_refine_diff_density_max         0.654
_refine_diff_density_min         -0.697
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         6164
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.104
_refine_ls_R_factor_all          0.0334
_refine_ls_R_factor_gt           0.0288
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0504P)^2^+0.4271P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0762
_refine_ls_wR_factor_ref         0.0785
_reflns_number_gt                5585
_reflns_number_total             6164
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ng5218.cif
_cod_data_source_block           I
_cod_original_cell_volume        1754.98(16)
_cod_database_code               2231640
_cod_database_fobs_code          2231640