Molecular oxygen reduction catalyzed by a highly oxidative resistant complex of cobalt-hydrazone at the liquid/liquid interface.
Kamyabi, Mohammad Ali; Soleymani-Bonoti, Fatemeh; Bikas, Rahman; Hosseini-Monfared, Hassan; Arshadi, Nematollah; Siczek, Milosz; Lis, Tadeusz; Physical chemistry chemical physics : PCCP 17 (2015) 32161–32172; doi:10.1039/c5cp04695e

data_7222036
_publ_section_title
;
 Molecular oxygen reduction catalyzed by a highly oxidative resistant
 complex of cobalt-hydrazone at the liquid/liquid interface.
;
_journal_issue                   48
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              32161
_journal_page_last               32172
_journal_paper_doi               10.1039/c5cp04695e
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety         'C25 H19 Cl2 Co N6 O, C H4 O'
_chemical_formula_sum            'C26 H23 Cl2 Co N6 O2'
_chemical_formula_weight         581.33
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
;
2014-10-16 deposited with the CCDC.
2015-09-04 downloaded from the CCDC.
;
_cell_angle_alpha                91.53(3)
_cell_angle_beta                 103.39(3)
_cell_angle_gamma                100.48(3)
_cell_formula_units_Z            2
_cell_length_a                   8.924(3)
_cell_length_b                   10.108(3)
_cell_length_c                   14.354(5)
_cell_measurement_reflns_used    8374
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      35.08
_cell_measurement_theta_min      2.93
_cell_volume                     1235.4(7)
_computing_cell_refinement       'CrysAlis RED, Agilent Technologies, 2010'
_computing_data_collection       'CrysAlis CCD, Agilent Technologies, 2010'
_computing_data_reduction        'CrysAlis RED, Agilent Technologies, 2010'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.802
_diffrn_measurement_device_type  'KM4 CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0373
_diffrn_reflns_av_sigmaI/netI    0.0683
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            19511
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         35.08
_diffrn_reflns_theta_min         2.93
_exptl_absorpt_coefficient_mu    0.949
_exptl_absorpt_correction_T_max  0.892
_exptl_absorpt_correction_T_min  0.747
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.66 
Analytical numeric absorption correction using a multifaceted crystal
            model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             596
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.314
_refine_diff_density_min         -0.689
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     336
_refine_ls_number_reflns         8790
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0876
_refine_ls_R_factor_gt           0.0501
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0570P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1062
_refine_ls_wR_factor_ref         0.1141
_reflns_number_gt                5594
_reflns_number_total             8790
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cp04695e2.cif
_cod_data_source_block           b1251a
_cod_depositor_comments          'Adding full bibliography for 7222036.cif.'
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7222036