PMMA-supported hybrid materials doped with highly near-infrared (NIR) luminescent complexes [Zn(L1)(Py)Ln(L2)3] (Ln = Nd, Yb or Er)
Yu, Chao; Zhang, Zhao; Liu, Lin; Li, Hongyan; He, Yani; Lü, Xingqiang; Wong, Wai-Kwok; Jones, Richard A.; New J. Chem. 39 (2015) 3698–; doi:10.1039/C4NJ02373K

data_7054679
_publ_section_title
;
 PMMA-supported hybrid materials doped with highly near-infrared (NIR)
 luminescent complexes [Zn(L1)(Py)Ln(L2)3] (Ln = Nd, Yb or Er)
;
_journal_issue                   5
_journal_name_full               'New J. Chem.'
_journal_page_first              3698
_journal_paper_doi               10.1039/C4NJ02373K
_journal_volume                  39
_journal_year                    2015
_chemical_formula_sum            'C61 H49 F9 N9 O8 Yb Zn'
_chemical_formula_weight         1445.50
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-02-13 deposited with the CCDC.
2015-02-16 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 104.550(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.852(3)
_cell_length_b                   13.2551(17)
_cell_length_c                   41.053(6)
_cell_measurement_temperature    296(2)
_cell_volume                     12563(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       '\w sacns'
_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  0.0522
_diffrn_reflns_av_sigmaI/netI    0.0674
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -50
_diffrn_reflns_number            33952
_diffrn_reflns_theta_full        26.21
_diffrn_reflns_theta_max         26.21
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    1.948
_exptl_absorpt_correction_type   SADBS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.528
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5784
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.28
_platon_squeeze_details
;
;
_refine_diff_density_max         0.759
_refine_diff_density_min         -0.797
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     778
_refine_ls_number_reflns         12551
_refine_ls_number_restraints     84
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0954
_refine_ls_R_factor_gt           0.0613
_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^)+(0.0683P)^2^+28.8956P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1431
_refine_ls_wR_factor_ref         0.1580
_reflns_number_gt                8325
_reflns_number_total             12551
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4nj02373k2.cif
_cod_data_source_block           3
_cod_depositor_comments          'Adding full bibliography for 7054679.cif.'
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7054679