<i>catena</i>-Poly[hexakis(μ~2~-anilinoacetamide)bis(1,10-phenanthroline)disamarium(III]
Liu, T.; Zhu, J.-Y.; Acta Crystallographica Section E 63 (2007) m2592–m2593; doi:10.1107/S1600536807045485

data_2215545
_publ_section_title
<i>catena</i>-Poly[hexakis(\m~2~-anilinoacetamide)bis(1,10-phenanthroline)disamarium(III]
_journal_coeditor_code           HK2324
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2592
_journal_page_last               m2593
_journal_paper_doi               10.1107/S1600536807045485
_journal_volume                  63
_journal_year                    2007
_chemical_formula_moiety         'C36 H35 N8 O3 Sm'
_chemical_formula_sum            'C36 H35 N8 O3 Sm'
_chemical_formula_weight         778.08
_chemical_name_systematic
;
catena-Poly[hexakis(\m~2~-anilinoacetamide)bis(1,10-
phenanthroline)disamarium(III]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.871(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.876(3)
_cell_length_b                   8.5511(17)
_cell_length_c                   20.481(4)
_cell_measurement_reflns_used    8983
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      26.667
_cell_measurement_theta_min      2.612
_cell_volume                     3331.2(11)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Siemens, 1996)'
_computing_publication_material  'SHELXTL (Siemens, 1996)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker SMART CCD 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  0.0422
_diffrn_reflns_av_sigmaI/netI    0.0466
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            26612
_diffrn_reflns_theta_full        27.30
_diffrn_reflns_theta_max         27.30
_diffrn_reflns_theta_min         2.08
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.812
_exptl_absorpt_correction_T_max  0.8701
_exptl_absorpt_correction_T_min  0.5871
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.551
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1572
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.584
_refine_diff_density_min         -0.896
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     411
_refine_ls_number_reflns         7330
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0749
_refine_ls_R_factor_gt           0.0506
_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^)+(0.1002P)^2^+0.285P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1474
_refine_ls_wR_factor_ref         0.1599
_reflns_number_gt                4913
_reflns_number_total             7330
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hk2324.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2215545
_cod_database_fobs_code          2215545