A bio-relevant supramolecular Co(ii)-complex for selective fluorescence sensing of μM range inorganic As(iii) in aqueous medium and its intracellular tracking in bacterial systems.
Dhibar, Subhendu; Yadav, Priya; Paul, Tanima; Sarkar, Keka; Chattopadhyay, Asoke Prasun; Krawczuk, Anna; Dey, Biswajit; Dalton transactions (Cambridge, England : 2003) 48 (2019) 4362–4369; doi:10.1039/c8dt04127j

data_7049234
_publ_section_title
;
 A bio-relevant supramolecular Co(ii)-complex for selective fluorescence
 sensing of \mM range inorganic As(iii) in aqueous medium and its
 intracellular tracking in bacterial systems.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4362
_journal_page_last               4369
_journal_paper_doi               10.1039/c8dt04127j
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C17 H25 Co N3 O7'
_chemical_formula_weight         442.33
_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   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-12-18 deposited with the CCDC.    2019-03-04 downloaded from the CCDC.
;
_cell_angle_alpha                83.608(4)
_cell_angle_beta                 73.687(3)
_cell_angle_gamma                88.562(4)
_cell_formula_units_Z            2
_cell_length_a                   8.1767(7)
_cell_length_b                   10.9491(8)
_cell_length_c                   11.4868(7)
_cell_measurement_reflns_used    6242
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.80
_cell_measurement_theta_min      2.49
_cell_volume                     980.83(13)
_computing_cell_refinement
'Apex2, Version 2 User Manual, M86-E01078, Bruker Analytical X-ray Systems Madison, WI, 2006'
_computing_data_collection
'Apex2, Version 2 User Manual, M86-E01078, Bruker Analytical X-ray Systems Madison, WI, 2006'
_computing_data_reduction
'Apex2, Version 2 User Manual, M86-E01078, Bruker Analytical X-ray Systems Madison, WI, 2006.'
_computing_molecular_graphics
;
  ORTEP-3 for Windows (Farrugia, 2012); MERCURY (Version
  1.4; Macrae et al., 2008)
;
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'BrukerAXS SMART APEX'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0599
_diffrn_reflns_av_unetI/netI     0.0622
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            19752
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.482
_diffrn_reflns_theta_min         2.778
_exptl_absorpt_coefficient_mu    0.919
_exptl_absorpt_correction_T_max  0.832
_exptl_absorpt_correction_T_min  0.802
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             462
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.778
_refine_diff_density_min         -0.613
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         4467
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.1059
_refine_ls_R_factor_gt           0.0701
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1152P)^2^+3.0592P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2069
_refine_ls_wR_factor_ref         0.2361
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3075
_reflns_number_total             4467
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt04127j2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7049234.cif.'
_cod_database_code               7049234
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.710
_shelx_estimated_absorpt_t_max   0.838
_shelx_res_checksum              40283