Tuning of azine derivatives for selective recognition of Ag(+) with the in vitro tracking of endophytic bacteria in rice root tissue.
Ghosh, Abhijit; Adhikari, Sangita; Ta, Sabyasachi; Banik, Avishek; Dangar, Tushar Kanti; Mukhopadhyay, Subhra Kanti; Matalobos, Jesús Sanmartín; Brandão, Paula; Félix, Vítor; Das, Debasis; Dalton transactions (Cambridge, England : 2003) 45 (2016) 19491–19499; doi:10.1039/c6dt03117j

data_7041154
_publ_section_title
;
 Tuning of azine derivatives for selective recognition of Ag(+) with the
 in vitro tracking of endophytic bacteria in rice root tissue.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              19491
_journal_page_last               19499
_journal_paper_doi               10.1039/c6dt03117j
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C24 H21.50 Ag N4 O3.25'
_chemical_formula_sum            'C24 H21.5 Ag N4 O3.25'
_chemical_formula_weight         525.82
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/4
_audit_update_record
;
2016-10-17 deposited with the CCDC.
2016-11-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.611(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.4252(3)
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_cell_length_c                   10.871(3)
_cell_measurement_reflns_used    1888
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.01
_cell_measurement_theta_min      2.79
_cell_volume                     2094.5(6)
_computing_cell_refinement       'BRUKER APEX2'
_computing_data_collection       'BRUKER APEX2'
_computing_publication_material  'Wingx 2014.1 routine (Farrugia,2012)'
_computing_structure_refinement  'SHELXL-2016/4 (Sheldrick, 2016)'
_computing_structure_solution    'SIR-2008 (Burla, 2007)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Kappa APEXII CCD'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0384
_diffrn_reflns_av_unetI/netI     0.0287
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
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_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            39403
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_exptl_absorpt_correction_T_max  0.8748
_exptl_absorpt_correction_T_min  0.7552
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5 (Bruker, 2014)'
_exptl_crystal_colour            brown
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_exptl_crystal_description       plate
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0548
_refine_ls_R_factor_gt           0.0414
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0319P)^2^+3.7766P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0923
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_reflns_number_gt                4320
_reflns_number_total             5190
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt03117j2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7041149--7041154.cif.'
_cod_original_formula_sum        'C24 H21.50 Ag N4 O3.25'
_cod_database_code               7041154
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