Poly[tris[μ~2~-3-(3-pyridyl)acrylato]samarium(III)]
Li, Wen-Ge; Pan, Zhao-Rui; Wang, Zuo-Wei; Li, Yi-Zhi; Zheng, He-Gen; Acta Crystallographica Section E 63 (2007) m351–m352; doi:10.1107/S1600536806055127

data_2212225
_publ_section_title
;
 Poly[tris[\m~2~-3-(3-pyridyl)acrylato]samarium(III)]
;
_journal_coeditor_code           HK2173
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m351
_journal_page_last               m352
_journal_paper_doi               10.1107/S1600536806055127
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Sm (C8 H6 N O2)3]'
_chemical_formula_moiety         'C24 H18 N3 O6 Sm'
_chemical_formula_sum            'C24 H18 N3 O6 Sm'
_chemical_formula_weight         594.76
_chemical_name_systematic
;
Poly[tris[3-(3-pyridyl)acrylato]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
_cell_angle_alpha                111.814(4)
_cell_angle_beta                 90.354(4)
_cell_angle_gamma                95.088(4)
_cell_formula_units_Z            2
_cell_length_a                   6.2302(13)
_cell_length_b                   12.712(3)
_cell_length_c                   15.650(3)
_cell_measurement_reflns_used    629
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      20.23
_cell_measurement_theta_min      2.61
_cell_volume                     1145.1(4)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0242
_diffrn_reflns_av_sigmaI/netI    0.0562
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            6220
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    2.609
_exptl_absorpt_correction_T_max  0.62
_exptl_absorpt_correction_T_min  0.45
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       '[What shape?]'
_exptl_crystal_F_000             586
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.967
_refine_diff_density_min         -1.556
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         4387
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0641
_refine_ls_R_factor_gt           0.0524
_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^)+(0.07P)^2^+1.2P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1136
_refine_ls_wR_factor_ref         0.1164
_reflns_number_gt                3742
_reflns_number_total             4387
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hk2173.cif
_cod_data_source_block           I
_cod_database_code               2212225
_cod_database_fobs_code          2212225