PET fluoroionophores for Zn2+ and Cu2+: complexation and fluorescence behavior of anthracene derivatives having diethylamine, N-methylpiperazine and N,N-bis(2-picolyl)amine units
Kubo, Kanji; Mori, Akira; Journal of Materials Chemistry 15 (2005) 2902–; doi:10.1039/b501361e

data_7203741
_publ_section_title
;
 PET fluoroionophores for Zn2+ and Cu2+: complexation and fluorescence
 behavior of anthracene derivatives having diethylamine,
 N-methylpiperazine and N,N-bis(2-picolyl)amine units
;
_journal_issue                   27-28
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              2902
_journal_paper_doi               10.1039/b501361e
_journal_volume                  15
_journal_year                    2005
_chemical_formula_moiety         'C40 H36 Cl4 N6 Zn2 '
_chemical_formula_sum            'C40 H36 Cl4 N6 Zn2'
_chemical_formula_weight         873.34
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.67(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.283(2)
_cell_length_b                   14.730(3)
_cell_length_c                   12.818(2)
_cell_measurement_reflns_used    20114
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      71.7
_cell_measurement_theta_min      3.0
_cell_volume                     1901.4(6)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9784
_diffrn_measured_fraction_theta_max 0.9784
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5419
_diffrn_reflns_av_R_equivalents  0.123
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            20466
_diffrn_reflns_theta_full        68.25
_diffrn_reflns_theta_max         68.25
_exptl_absorpt_coefficient_mu    4.438
_exptl_absorpt_correction_T_max  0.264
_exptl_absorpt_correction_T_min  0.057
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
Higashi, T. (1999). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             892.00
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.69
_refine_diff_density_min         -0.56
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     237
_refine_ls_number_reflns         3426
_refine_ls_R_factor_gt           0.0440
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0211P)^2^+0.8187P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1130
_reflns_number_gt                2616
_reflns_number_total             3426
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b501361e.txt
_cod_data_source_block           '_2cZn'
_cod_original_cell_volume        1901.4(7)
_cod_original_formula_sum        'C40 H36 Cl4 N6 Zn2 '
_cod_database_code               7203741