Near-infrared (NIR) luminescent metallopolymers based on Ln4(Salen)4 nanoclusters (Ln = Nd or Yb)
Weixu Feng; Yao Zhang; Zhao Zhang; Peiyang Su; Xingqiang Lu; Jirong Song; Daidi Fan; Wai-Kwok Wong; Richard A. Jones; Chengyong Su; Journal of Materials Chemistry C 2 (2014) 1489–1499; doi:10.1039/C3TC31814A

data_7233631
_publ_section_title
;
 Near-infrared (NIR) luminescent metallopolymers based on Ln4(Salen)4
 nanoclusters (Ln = Nd or Yb)
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              1489
_journal_page_last               1499
_journal_paper_doi               10.1039/C3TC31814A
_journal_volume                  2
_journal_year                    2014
_chemical_formula_sum            'C120 H168 Cl4 N8 O28 Yb4'
_chemical_formula_weight         3004.58
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 102.1750(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.70010(10)
_cell_length_b                   23.6787(2)
_cell_length_c                   20.2012(2)
_cell_measurement_temperature    293(2)
_cell_volume                     6873.46(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  Bruker
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0565
_diffrn_reflns_av_sigmaI/netI    0.0477
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            41855
_diffrn_reflns_theta_full        62.52
_diffrn_reflns_theta_max         62.52
_diffrn_reflns_theta_min         2.91
_exptl_absorpt_coefficient_mu    6.103
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3032
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_refine_diff_density_max         2.212
_refine_diff_density_min         -1.160
_refine_diff_density_rms         0.165
_refine_ls_extinction_coef       0.000087(17)
_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   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     740
_refine_ls_number_reflns         10906
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0558
_refine_ls_R_factor_gt           0.0514
_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^)+(0.0783P)^2^+32.4390P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1394
_refine_ls_wR_factor_ref         0.1438
_reflns_number_gt                9919
_reflns_number_total             10906
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            J-Mater-Chem-C-2014-2-1489.cif
_cod_data_source_block           3.4EtOH.6H2O
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7233631