Bisquinoline-based fluorescent zinc sensors
Mikata, Yuji; Yamashita, Azusa; Kawamura, Ayano; Konno, Hideo; Miyamoto, Yuka; Tamotsu, Satoshi; Dalton Transactions  (2009) 3800–3806; doi:10.1039/b820763a

data_7001289
_publ_section_title
;
 Bisquinoline-based fluorescent zinc sensors
;
_journal_issue                   19
_journal_name_full               'Dalton Transactions'
_journal_page_first              3800
_journal_page_last               3806
_journal_paper_doi               10.1039/b820763a
_journal_year                    2009
_chemical_formula_moiety         'C24 H26 Cl2 N4 Zn '
_chemical_formula_sum            'C24 H26 Cl2 N4 Zn'
_chemical_formula_weight         506.78
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   15.1410(8)
_cell_length_b                   8.1197(5)
_cell_length_c                   18.4635(10)
_cell_measurement_reflns_used    5506
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      28.7
_cell_measurement_theta_min      1.3
_cell_volume                     2269.9(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS97
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            17842
_diffrn_reflns_theta_full        28.69
_diffrn_reflns_theta_max         28.69
_exptl_absorpt_coefficient_mu    1.337
_exptl_absorpt_correction_T_max  0.935
_exptl_absorpt_correction_T_min  0.778
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.483
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_F_000             1048.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.57
_refine_diff_density_min         -0.45
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     194
_refine_ls_number_reflns         2927
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0328
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0374P)^2^+1.3788P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0773
_refine_ls_wR_factor_ref         0.0833
_reflns_number_gt                2402
_reflns_number_total             2927
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b820763a.txt
_cod_data_source_block           '__Me2Q2en-ZnCl2-2'
_cod_original_formula_sum        'C24 H26 Cl2 N4 Zn '
_cod_database_code               7001289