Lead ion induced chemodosimeter approach of a tripodal hydroxyl-quinoline based phospho-ester through P-O bond cleavage.
Sain, Dibyendu; Kumari, Chanda; Kumar, Ashish; Nayek, Hari Pada; Dey, Swapan; Dalton transactions (Cambridge, England : 2003) 45 (2016) 9187–9192; doi:10.1039/c6dt00941g

data_7039258
_publ_section_title
;
 Lead ion induced chemodosimeter approach of a tripodal hydroxyl-quinoline
 based phospho-ester through P-O bond cleavage.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9187
_journal_page_last               9192
_journal_paper_doi               10.1039/c6dt00941g
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C54 H36 Cl2 N6 O14 P0 Pb4'
_chemical_formula_weight         1892.55
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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_creation_method           SHELXL-97
_audit_update_record
;
2016-04-19 deposited with the CCDC.
2016-04-25 downloaded from the CCDC.
;
_cell_angle_alpha                65.39
_cell_angle_beta                 75.83
_cell_angle_gamma                82.73
_cell_formula_units_Z            1
_cell_length_a                   10.247
_cell_length_b                   11.756
_cell_length_c                   12.669
_cell_measurement_reflns_used    17213
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.00
_cell_measurement_theta_min      1.81
_cell_volume                     1344.783
_computing_data_collection       'APEX 2'
_computing_molecular_graphics    'Mercury 3.1'
_computing_publication_material  'Microsoft word 2007'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.959
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type  'Bruker AXS SMART APEX II'
_diffrn_measurement_method       'area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0505
_diffrn_reflns_av_unetI/netI     0.0665
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            17213
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    12.654
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.337
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             876
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.345
_refine_diff_density_min         -1.989
_refine_diff_density_rms         0.208
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         5615
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0795
_refine_ls_R_factor_gt           0.0383
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0378P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0790
_refine_ls_wR_factor_ref         0.0884
_reflns_number_gt                3795
_reflns_number_total             5615
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt00941g2.cif
_cod_data_source_block           shelxl_pb4hq6clo4
_cod_depositor_comments
'Adding full bibliography for 7039257--7039259.cif.'
_cod_original_cell_volume        1344.8
_cod_database_code               7039258