Square structures and photophysical properties of Zn(2)Ln(2) complexes (Ln = Nd, Eu, Sm, Er, Yb).
Xu, Hai-Bing; Wen, Hui-Min; Chen, Zhong-Hui; Li, Jia; Shi, Lin-Xi; Chen, Zhong-Ning; Dalton transactions (Cambridge, England : 2003) 39 (2010) 1948–1953; doi:10.1039/b919170d

data_7024613
_publ_section_title
;
 Square structures and photophysical properties of Zn(2)Ln(2) complexes
 (Ln = Nd, Eu, Sm, Er, Yb).
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1948
_journal_page_last               1953
_journal_paper_doi               10.1039/b919170d
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C40 H21 Cl0 F18 N4 Nd O8 Zn'
_chemical_formula_weight         1237.22
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 108.430(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.059(4)
_cell_length_b                   17.087(4)
_cell_length_c                   18.823(5)
_cell_measurement_temperature    293(2)
_cell_volume                     4595(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0331
_diffrn_reflns_av_sigmaI/netI    0.0364
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            31224
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.28
_exptl_absorpt_coefficient_mu    1.767
_exptl_absorpt_correction_T_max  0.7775
_exptl_absorpt_correction_T_min  0.7189
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.788
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2420
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.058
_refine_diff_density_min         -0.819
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     643
_refine_ls_number_reflns         9000
_refine_ls_number_restraints     76
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0747
_refine_ls_R_factor_gt           0.0601
_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^)+(0.0798P)^2^+15.1052P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1536
_refine_ls_wR_factor_ref         0.1718
_reflns_number_gt                7411
_reflns_number_total             9000
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b919170d.txt
_cod_data_source_block           x2
_cod_original_sg_symbol_H-M      p21/c
_cod_database_code               7024613