Tetrakis(2-quinolinylmethyl)ethylenediamine (TQEN) as a new fluorescent sensor for zinc.
Mikata, Yuji; Wakamatsu, Motoko; Yano, Shigenobu; Dalton transactions (Cambridge, England : 2003)  (2005) 545–550; doi:10.1039/b411924j

data_7007910
_publ_section_title
;
 Tetrakis(2-quinolinylmethyl)ethylenediamine (TQEN) as a new
 fluorescent sensor for zinc.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              545
_journal_page_last               550
_journal_paper_doi               10.1039/b411924j
_journal_year                    2005
_chemical_formula_moiety         'C46 H40 Cl12 N6 '
_chemical_formula_sum            'C46 H40 Cl12 N6'
_chemical_formula_weight         1102.30
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2004-10-29
_audit_creation_method           'by CrystalStructure 3.6.0'
_cell_angle_alpha                71.05(2)
_cell_angle_beta                 64.21(2)
_cell_angle_gamma                74.27(3)
_cell_formula_units_Z            1
_cell_length_a                   10.271(6)
_cell_length_b                   11.240(7)
_cell_length_c                   13.251(7)
_cell_measurement_reflns_used    3625
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     1287.5(13)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.9370
_diffrn_measured_fraction_theta_max 0.9391
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       omega
_diffrn_radiation_type           'Mo Kalpha'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9893
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.683
_exptl_absorpt_correction_T_max  0.872
_exptl_absorpt_correction_T_min  0.788
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
Higashi, T. (1999). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.421
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             562.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.52
_refine_diff_density_min         -0.55
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     309
_refine_ls_number_reflns         5550
_refine_ls_R_factor_gt           0.0660
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0020Fo^2^ + 3.0000sigma(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1720
_reflns_number_gt                4492
_reflns_number_total             5550
_reflns_threshold_expression     F^2^>2.0sigma(F^2^)
_cod_data_source_file            b411924j.txt
_cod_data_source_block           Q4en
_cod_original_cell_volume        1287.6(13)
_cod_original_formula_sum        'C46 H40 Cl12 N6 '
_cod_database_code               7007910