Sensing Hg(II)in Vitro and in Vivo Using a Benzimidazole Substituted BODIPY
Sheri Madhu; Dharmendar Kumar Sharma; Santanu Kumar Basu; Sameer Jadhav; Arindam Chowdhury; Mangalampalli Ravikanth; Inorganic Chemistry 52 (2013) 11136–11145; doi:10.1021/ic401365x

data_4336191
_publ_section_title
;
 Sensing Hg(II)in Vitro and in Vivo Using a Benzimidazole Substituted
 BODIPY
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11136
_journal_page_last               11145
_journal_paper_doi               10.1021/ic401365x
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C25 H19 B F2 N4 O2'
_chemical_formula_weight         456.25
_chemical_name_systematic
;
 ?
;
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                89.727(11)
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_cell_length_a                   8.9416(13)
_cell_length_b                   10.9173(14)
_cell_length_c                   12.0550(14)
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_cell_measurement_temperature    150(2)
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_cell_measurement_theta_min      3.4360
_cell_volume                     1073.8(3)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.,'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_molecular_graphics    Ortep3
_computing_publication_material  Shelx97
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 15.9948
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'OXFORD DIFFRACTION XCALIBUR-S'
_diffrn_measurement_method       \w/q-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) x-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_h_max       10
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_diffrn_reflns_limit_l_min       -12
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_exptl_absorpt_correction_T_min  0.9668
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         3763
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0779
_refine_ls_R_factor_gt           0.0393
_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^)+(0.0501P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic401365x_si_002.cif
_cod_data_source_block           mr033
_cod_original_cell_volume        1073.8(2)
_cod_database_code               4336191