Anion-Induced Self-Assembly of Luminescent and Magnetic Homoleptic Cyclic Tetranuclear Ln4(Salen)4 and Ln4(Salen)2 Complexes (Ln = Nd, Yb, Er, or Gd)
Weixu Feng; Yao Zhang; Zhao Zhang; Xingqiang Lü; Han Liu; Guoxiang Shi; Dan Zou; Jirong Song; Daidi Fan; Wai-Kwok Wong; Richard A. Jones; Inorganic Chemistry 51 (2012) 11377–11386; doi:10.1021/ic300918c

data_4330793
_publ_contact_author_address
;
Shaanxi Key Engineering Center of Bio-materials
Shaanxi Key Laboratory of Physico-inorganic Chemistry
Northwest University
Xi'an 
710069
China
;
_publ_contact_author_email       lvxq@nwu.edu.cn
_publ_contact_author_name        'Xingqiang Lu'
_publ_section_title
;
 Anion-Induced Self-Assembly of Luminescent and Magnetic Homoleptic Cyclic
 Tetranuclear Ln4(Salen)4 and Ln4(Salen)2 Complexes (Ln = Nd, Yb, Er, or
 Gd)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11377
_journal_page_last               11386
_journal_paper_doi               10.1021/ic300918c
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C100 H136 Cl4 N8 Nd4 O24'
_chemical_formula_weight         2552.93
_chemical_name_systematic
; 
 ? 
;
_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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.4820(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.5179(14)
_cell_length_b                   16.1970(12)
_cell_length_c                   19.1175(14)
_cell_measurement_temperature    273(2)
_cell_volume                     5707.8(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.932
_diffrn_measured_fraction_theta_max 0.932
_diffrn_measurement_device_type  'Bruker Smart CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.1008
_diffrn_reflns_av_sigmaI/netI    0.0683
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            56090
_diffrn_reflns_theta_full        32.22
_diffrn_reflns_theta_max         32.22
_diffrn_reflns_theta_min         1.46
_exptl_absorpt_coefficient_mu    1.951
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.485
_exptl_crystal_description       block
_exptl_crystal_F_000             2584
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_refine_diff_density_max         2.371
_refine_diff_density_min         -1.784
_refine_diff_density_rms         0.197
_refine_ls_extinction_coef       0.00030(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     632
_refine_ls_number_reflns         18813
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.0723
_refine_ls_R_factor_gt           0.0518
_refine_ls_shift/su_max          1.972
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0614P)^2^+21.2521P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1413
_refine_ls_wR_factor_ref         0.1634
_reflns_number_gt                14883
_reflns_number_total             18813
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic300918c_si_002_1.cif
_cod_data_source_block           1.6EtOH
_cod_database_code               4330793