Synthesis, characterization and antimicrobial evaluation of ferrocene‒oxime ether benzyl 1H-1,2,3-triazole hybrids
Swetha, Yagnam; Reddy, Eda Rami; Kumar, Jakku Ranjith; Trivedi, Rajiv; Giribabu, Lingamallu; Sridhar, Balasubramanian; Rathod, Balaji; Prakasham, Reddy Shetty; New Journal of Chemistry 43 (2019) 8341–; doi:10.1039/C9NJ00660E

data_7058350
_publ_section_title
;
 Synthesis, characterization and antimicrobial evaluation of
 ferrocene--oxime ether benzyl 1H-1,2,3-triazole hybrids
;
_journal_issue                   21
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              8341
_journal_paper_doi               10.1039/C9NJ00660E
_journal_volume                  43
_journal_year                    2019
_chemical_formula_moiety         'C21 H20 Fe N4 O'
_chemical_formula_sum            'C21 H20 Fe N4 O'
_chemical_formula_weight         400.26
_space_group_crystal_system      monoclinic
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_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   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-01-10 deposited with the CCDC.    2019-05-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      28.95
_cell_measurement_theta_min      2.67
_cell_volume                     1874.22(6)
_computing_cell_refinement       '<i>SAINT</i> (Bruker, 2016)'
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_computing_structure_solution    '<i>SHELXT</i> (Sheldrick, 2015)'
_diffrn_ambient_temperature      294(2)
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_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker D8 QUEST PHOTON-100'
_diffrn_measurement_method       '\w and \f'
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_diffrn_reflns_av_unetI/netI     0.0433
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_diffrn_reflns_limit_h_min       -26
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_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -11
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_exptl_absorpt_coefficient_mu    0.823
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6383
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            'dark red'
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_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0741
_refine_ls_R_factor_gt           0.0430
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0315P)^2^+0.7814P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0837
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                4102
_reflns_number_total             5736
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           KA303_0m-auto
_cod_depositor_comments          'Adding full bibliography for 7058350.cif.'
_cod_original_cell_volume        1874.21(6)
_cod_database_code               7058350
_shelx_shelxl_version_number     2014/7
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_shelx_res_checksum              26180