Synthesis, structural investigations and corrosion inhibition studies on Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) complexes with 2-amino-benzoic acid (phenyl-pyridin-2-yl-methylene)-hydrazide
Singh, Vinod Prasad; Singh, Pooja; Singh, Divya Pratap; Tiwari, Karishma; Mishra, Monika; SINGH, ASHISH; RSC Adv.  (2015) –; doi:10.1039/C4RA11929K

data_7220466
_publ_section_title
;
 Synthesis, structural investigations and corrosion inhibition studies on
 Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) complexes with 2-amino-benzoic
 acid (phenyl-pyridin-2-yl-methylene)-hydrazide
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C4RA11929K
_journal_year                    2015
_chemical_formula_moiety         'C40 H36 Cl0 N8 Ni O3'
_chemical_formula_sum            'C40 H36 Cl0 N8 Ni O3'
_chemical_formula_weight         735.48
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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
;
2014-02-21 deposited with the CCDC.
2015-05-12 downloaded from the CCDC.
;
_cell_angle_alpha                79.270(6)
_cell_angle_beta                 85.438(5)
_cell_angle_gamma                83.472(5)
_cell_formula_units_Z            2
_cell_length_a                   10.5214(6)
_cell_length_b                   11.2399(8)
_cell_length_c                   16.4854(11)
_cell_measurement_temperature    293(2)
_cell_volume                     1899.6(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.835
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0432
_diffrn_reflns_av_sigmaI/netI    0.1005
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            15109
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.09
_diffrn_reflns_theta_min         3.18
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.559
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.82653
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   multi-scan
_exptl_crystal_density_diffrn    1.286
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.860
_refine_diff_density_min         -0.603
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     486
_refine_ls_number_reflns         10199
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.1529
_refine_ls_R_factor_gt           0.0858
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1224P)^2^+1.7530P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2099
_refine_ls_wR_factor_ref         0.2649
_reflns_number_gt                6773
_reflns_number_total             10199
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ra11929k2.cif
_cod_data_source_block           d-35
_cod_database_code               7220466