Replacement of quinolines with isoquinolines affords target metal ion switching from Zn(2+) to Cd(2+) in the fluorescent sensor TQLN (N,N,N',N'-tetrakis(2-quinolylmethyl)-2,6-bis(aminomethyl)pyridine).
Mikata, Yuji; Takekoshi, Ayaka; Kaneda, Minori; Konno, Hideo; Yasuda, Keiko; Aoyama, Masato; Tamotsu, Satoshi; Dalton transactions (Cambridge, England : 2003) 46 (2017) 632–637; doi:10.1039/c6dt03948k

data_7041394
_publ_section_title
;
 Replacement of quinolines with isoquinolines affords target metal ion
 switching from Zn(2+) to Cd(2+) in the fluorescent sensor TQLN
 (N,N,N',N'-tetrakis(2-quinolylmethyl)-2,6-bis(aminomethyl)pyridine).
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              632
_journal_page_last               637
_journal_paper_doi               10.1039/c6dt03948k
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C47 H42 Cl3 N7 O14 Zn2'
_chemical_formula_sum            'C47 H42 Cl3 N7 O14 Zn2'
_chemical_formula_weight         1166.01
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2016-11-26 deposited with the CCDC.
2016-12-08 downloaded from the CCDC.
;
_cell_angle_alpha                93.355(6)
_cell_angle_beta                 97.139(5)
_cell_angle_gamma                99.558(5)
_cell_formula_units_Z            2
_cell_length_a                   11.020(4)
_cell_length_b                   12.924(5)
_cell_length_c                   19.504(8)
_cell_measurement_reflns_used    6249
_cell_measurement_temperature    153
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      3.02
_cell_volume                     2709.1(18)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.2.2'
_computing_publication_material  'CrystalStructure 4.2.2 (Rigaku, 2016)'
_computing_structure_refinement  'SHELXL Version 2016/6 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS Version 2013/1 (Sheldrick, 2008)'
_diffrn_ambient_temperature      153
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.941
_diffrn_measured_fraction_theta_max 0.924
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0325
_diffrn_reflns_Laue_measured_fraction_full 0.941
_diffrn_reflns_Laue_measured_fraction_max 0.924
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            19433
_diffrn_reflns_point_group_measured_fraction_full 0.941
_diffrn_reflns_point_group_measured_fraction_max 0.924
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.515
_diffrn_reflns_theta_min         3.022
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.101
_exptl_absorpt_correction_T_max  0.802
_exptl_absorpt_correction_T_min  0.627
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_F_000             1192.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.05
_refine_diff_density_min         -1.63
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.123
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     658
_refine_ls_number_reflns         11530
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0890
_refine_ls_R_factor_gt           0.0762
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0754P)^2^+8.1906P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2019
_refine_ls_wR_factor_ref         0.2110
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9328
_reflns_number_total             11530
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c6dt03948k2.cif
_cod_data_source_block           1-isoTQLN-Zn-141222
_cod_depositor_comments          'Adding full bibliography for 7041394.cif.'
_cod_original_cell_volume        2708.9(18)
_cod_database_code               7041394
_shelx_res_checksum              98104
_platon_squeeze_void_probe_radius 1.20