Lariat ethers with fluoroaryl side-arms: a study of CF⋯metal cation interaction in the complexes of N-(o-fluoroaryl)azacrown ethers
Sazonov, Petr K.; Minacheva, Lidiya Kh.; Churakov, Andrei V.; Sergienko, Vladimir S.; Artamkina, Galina A.; Oprunenko, Yuri F.; Beletskaya, Irina P.; Dalton Transactions  (2009) 843–850; doi:10.1039/b807199c

data_7000399
_publ_section_title
;
 Lariat ethers with fluoroaryl side-arms: a study of CF&#x22EF;metal
 cation interaction in the complexes of N-(o-fluoroaryl)azacrown ethers
;
_journal_issue                   5
_journal_name_full               'Dalton Transactions'
_journal_page_first              843
_journal_page_last               850
_journal_paper_doi               10.1039/b807199c
_journal_year                    2009
_chemical_formula_moiety         'C24 H34 F2 N2 O5 Pb, 2(Cl O4)'
_chemical_formula_sum            'C24 H34 Cl2 F2 N2 O13 Pb'
_chemical_formula_weight         874.62
_chemical_name_common
;aqua(N,N'-bis(o-fluorophenyl)diaza-18-crown-
6)lead(ii)diperchlorate
;
_chemical_name_systematic
;
aqua{N,N'-bis(o-fluorophenyl)diaza-18-crown-6}lead(II)diperchlorate
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 94.711(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.423(5)
_cell_length_b                   12.719(3)
_cell_length_c                   13.109(3)
_cell_measurement_reflns_used    1649
_cell_measurement_temperature    303(2)
_cell_measurement_theta_max      18.465
_cell_measurement_theta_min      3.118
_cell_volume                     3227.5(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      303(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART APEX II'
_diffrn_measurement_method       \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  0.0674
_diffrn_reflns_av_sigmaI/netI    0.0609
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12378
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.12
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.468
_exptl_absorpt_correction_T_max  0.8985
_exptl_absorpt_correction_T_min  0.2184
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'
_exptl_crystal_colour            light-brown
_exptl_crystal_density_diffrn    1.800
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1720
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.977
_refine_diff_density_min         -1.006
_refine_diff_density_rms         0.193
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     181
_refine_ls_number_reflns         3154
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0893
_refine_ls_R_factor_gt           0.0679
_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^)+(0.1326P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1773
_refine_ls_wR_factor_ref         0.1967
_reflns_number_gt                2435
_reflns_number_total             3154
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b807199c.txt
_cod_data_source_block           m
_cod_original_cell_volume        3227.4(14)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7000399