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_7001288
_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         'C55 H66 N6 O12 Zn2 '
_chemical_formula_sum            'C55 H66 N6 O12 Zn2'
_chemical_formula_weight         1133.92
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 122.1561(11)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   27.974(8)
_cell_length_b                   10.915(3)
_cell_length_c                   21.115(6)
_cell_measurement_reflns_used    7750
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      28.7
_cell_measurement_theta_min      1.7
_cell_volume                     5458(3)
_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    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_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  0.021
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            21241
_diffrn_reflns_theta_full        28.70
_diffrn_reflns_theta_max         28.70
_exptl_absorpt_coefficient_mu    0.946
_exptl_absorpt_correction_T_max  0.753
_exptl_absorpt_correction_T_min  0.523
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.380
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2376.00
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.38
_refine_diff_density_min         -0.52
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     424
_refine_ls_number_reflns         6937
_refine_ls_R_factor_gt           0.0449
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0733P)^2^+5.1900P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1322
_reflns_number_gt                5741
_reflns_number_total             6937
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b820763a.txt
_cod_data_source_block           '__TQPN-ZnOAc-1'
_cod_original_cell_volume        5458(2)
_cod_original_formula_sum        'C55 H66 N6 O12 Zn2 '
_cod_database_code               7001288